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Details

Stereochemistry ACHIRAL
Molecular Formula C11H15ClN2O4S
Molecular Weight 306.766
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Aminosulfonyl)-5-(butylamino)-4-chlorobenzoic acid

SMILES

CCCCNC1=C(Cl)C(=CC(=C1)C(O)=O)S(N)(=O)=O

InChI

InChIKey=CNBZFYQGTRTWSM-UHFFFAOYSA-N
InChI=1S/C11H15ClN2O4S/c1-2-3-4-14-8-5-7(11(15)16)6-9(10(8)12)19(13,17)18/h5-6,14H,2-4H2,1H3,(H,15,16)(H2,13,17,18)

HIDE SMILES / InChI

Molecular Formula C11H15ClN2O4S
Molecular Weight 306.766
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:34:02 GMT 2025
Edited
by admin
on Wed Apr 02 19:34:02 GMT 2025
Record UNII
DB42UE9TTX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Butylamino)-4-chloro-5-sulfamoylbenzoic acid
Preferred Name English
3-(Aminosulfonyl)-5-(butylamino)-4-chlorobenzoic acid
Systematic Name English
Benzoic acid, 3-(butylamino)-4-chloro-5-sulfamoyl-
Systematic Name English
Benzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-chloro-
Systematic Name English
Code System Code Type Description
CAS
22893-29-4
Created by admin on Wed Apr 02 19:34:02 GMT 2025 , Edited by admin on Wed Apr 02 19:34:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID10177434
Created by admin on Wed Apr 02 19:34:02 GMT 2025 , Edited by admin on Wed Apr 02 19:34:02 GMT 2025
PRIMARY
PUBCHEM
211318
Created by admin on Wed Apr 02 19:34:02 GMT 2025 , Edited by admin on Wed Apr 02 19:34:02 GMT 2025
PRIMARY
FDA UNII
DB42UE9TTX
Created by admin on Wed Apr 02 19:34:02 GMT 2025 , Edited by admin on Wed Apr 02 19:34:02 GMT 2025
PRIMARY