3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide

C10H9BrN2O4S3 — CID 61063289

IUPAC3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2sccc2Br)cc1
InChIInChI=1S/C10H9BrN2O4S3/c11-9-5-6-18-10(9)20(16,17)13-7-1-3-8(4-2-7)19(12,14)15/h1-6,13H,(H2,12,14,15)
InChIKeyJJFLXFPAUYTZMI-UHFFFAOYSA-N
MW397.30 g/mol
LogP1.96
Rot. Bonds4

About 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide

3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide (PubChem CID 61063289) has the molecular formula C10H9BrN2O4S3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
PubChem CID61063289
Molecular FormulaC10H9BrN2O4S3
Molecular Weight397.30 g/mol
Exact Mass395.89
IUPAC Name3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2sccc2Br)cc1
InChIInChI=1S/C10H9BrN2O4S3/c11-9-5-6-18-10(9)20(16,17)13-7-1-3-8(4-2-7)19(12,14)15/h1-6,13H,(H2,12,14,15)
InChIKeyJJFLXFPAUYTZMI-UHFFFAOYSA-N
XLogP1.96
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 61061972
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063182
4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904502
3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423
N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide
CID 61458011
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150
3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 61063599
3-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904504
N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide
CID 64894470

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide (CID 61063289) is 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2sccc2Br)cc1.
What is the InChIKey of 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide?
The InChIKey is JJFLXFPAUYTZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O4S3/c11-9-5-6-18-10(9)20(16,17)13-7-1-3-8(4-2-7)19(12,14)15/h1-6,13H,(H2,12,14,15).
What are the key properties of 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide?
3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide has a molecular weight of 397.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61063289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).