4-(2-aminoethyl)benzenesulfonylfluoride hydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H10FNO2S.ClH
Molecular Weight	239.695
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(2-aminoethyl)benzenesulfonylfluoride hydrochloride

Structure Search

SMILES

Cl.NCCC1=CC=C(C=C1)S(F)(=O)=O

InChI

InChIKey=WRDABNWSWOHGMS-UHFFFAOYSA-N

InChI=1S/C8H10FNO2S.ClH/c9-13(11,12)8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H

HIDE SMILES / InChI

Molecular Formula	C8H10FNO2S
Molecular Weight	203.234
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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
Thrombin 21 Target ID: CHEMBL204 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22882079	Inhibitor 8504	62.0 µM [IC50]
Plasminogen 5 Target ID: CHEMBL1801 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22882079	Inhibitor 8504	240.0 µM [IC50]
Cathepsin G 4 Target ID: CHEMBL4071 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22882079	Inhibitor 8504	250.0 µM [IC50]
Pancreatic elastase 3 Target ID: CHEMBL2096984 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22882079	Inhibitor 8504	160.0 µM [IC50]
Leukocyte elastase 19 Target ID: CHEMBL248 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22882079	Inhibitor 8504	130.0 µM [IC50]

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:13:52 GMT 2025` Edited by `admin` on `Wed Apr 02 16:13:52 GMT 2025`
Record UNII	DHA6VL95HL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AEBSF

Preferred Name

English

4-(2-aminoethyl)benzenesulfonylfluoride hydrochloride

Common Name

English

Pefabloc SC

Common Name

English

4-(2-aminoethyl)benzene-1-sulfonyl fluoride hydrochloride

Systematic Name

English

4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride

Systematic Name

English

(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride

Systematic Name

English

Benzenesulfonyl fluoride, 4-(2-aminoethyl)-, hydrochloride (1:1)

Systematic Name

English

Pefabloc

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60184830

Created by admin on Wed Apr 02 16:13:52 GMT 2025 , Edited by admin on Wed Apr 02 16:13:52 GMT 2025

PRIMARY

PUBCHEM

186136

Created by admin on Wed Apr 02 16:13:52 GMT 2025 , Edited by admin on Wed Apr 02 16:13:52 GMT 2025

PRIMARY

FDA UNII

DHA6VL95HL

Created by admin on Wed Apr 02 16:13:52 GMT 2025 , Edited by admin on Wed Apr 02 16:13:52 GMT 2025

PRIMARY

CAS

30827-99-7

Created by admin on Wed Apr 02 16:13:52 GMT 2025 , Edited by admin on Wed Apr 02 16:13:52 GMT 2025

PRIMARY

Related Record Type Details


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4-(2-aminoethyl)benzenesulfonylfluoride

PARENT -> SALT/SOLVATE

Amount: