2,4-DISULFAMOYL-5-TRIFLUOROMETHYLANILINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8F3N3O4S2
Molecular Weight	319.281
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4-DISULFAMOYL-5-TRIFLUOROMETHYLANILINE

Structure Search

SMILES

NC1=CC(=C(C=C1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F

InChI

InChIKey=KRVABEGPNKGLOT-UHFFFAOYSA-N

InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)

HIDE SMILES / InChI

Molecular Formula	C7H8F3N3O4S2
Molecular Weight	319.281
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
GO:0004115 \| 3',5'-cyclic-AMP phosphodiesterase activity 1 Target ID: GO:0004115 \| 3',5'-cyclic-AMP phosphodiesterase activity Sources: https://www.ncbi.nlm.nih.gov/pubmed/6295063	Inhibitor 8297
Carbonic anhydrase 1 3 Target ID: P00915 Gene ID: 759.0 Gene Symbol: CA1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11310605 \| https://www.ncbi.nlm.nih.gov/pubmed/15686894 \| https://www.ncbi.nlm.nih.gov/pubmed/6295063	Inhibitor 8297	5.8 µM [Ki]
Carbonic anhydrase 2 5 Target ID: P00918 Gene ID: 760.0 Gene Symbol: CA2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11310605 \| https://www.ncbi.nlm.nih.gov/pubmed/15686894 \| https://www.ncbi.nlm.nih.gov/pubmed/6295063	Inhibitor 8297	62.0 nM [Ki]
Carbonic anhydrase 12 1 Target ID: O43570 Gene ID: 771.0 Gene Symbol: CA12 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/15686894 \| https://www.ncbi.nlm.nih.gov/pubmed/6295063	Inhibitor 8297	45.0 nM [Ki]

PubMed

Title	Date	PubMed
Separation and quantitative determination of 2,4-disulfamyl-5-trifluoromethylaniline in hydroflumethiazide using high-pressure liquid chromatography.	1977 Jun	874795
Excretion of hydroflumethiazide in bile and urine of man.	1979 May 21	477714
Interaction of hydroflumethiazide and 2,4-disulfamyl-5-trifluoromethylaniline with cyclic AMP phosphodiesterase and carbonic anhydrase.	1982 Oct	6295063

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:20:44 GMT 2023` Edited by `admin` on `Sat Dec 16 10:20:44 GMT 2023`
Record UNII	YBN90877RI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4-DISULFAMOYL-5-TRIFLUOROMETHYLANILINE

Systematic Name

English

5-TRIFLUOROMETHYL-2,4-DISULFAMOYLANILINE

Systematic Name

English

TOLUENE-2,4-DISULFONAMIDE, 5-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-

Systematic Name

English

2,4-DISULFAMYL-5-TRIFLUOROMETHYLANILINE

Systematic Name

English

4-AMINO-6-(TRIFLUOROMETHYL)-1,3-BENZENEDISULFONAMIDE

Systematic Name

English

NSC-44625

Code

English

1,3-BENZENEDISULFONAMIDE, 4-AMINO-6-(TRIFLUOROMETHYL)-

Systematic Name

English

2,4-DISULFAMYL-5-TRIFLUOROMETHYLANILINE [USP-RS]

Common Name

English

4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE

Systematic Name

English

Code System Code Type Description

RS_ITEM_NUM

1223005