3-[(4-bromophenyl)sulfamoyl]benzoic acid

C13H10BrNO4S — CID 1097195

IUPAC3-[(4-bromophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C13H10BrNO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)
InChIKeyFSENLNZWRUKHDI-UHFFFAOYSA-N
MW356.20 g/mol
LogP2.95
Rot. Bonds4

About 3-[(4-bromophenyl)sulfamoyl]benzoic acid

3-[(4-bromophenyl)sulfamoyl]benzoic acid (PubChem CID 1097195) has the molecular formula C13H10BrNO4S and a molecular weight of 356.20 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]benzoic acid
PubChem CID1097195
Molecular FormulaC13H10BrNO4S
Molecular Weight356.20 g/mol
Exact Mass354.95
IUPAC Name3-[(4-bromophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C13H10BrNO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)
InChIKeyFSENLNZWRUKHDI-UHFFFAOYSA-N
XLogP2.95
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromophenyl)sulfamoyl]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]benzoic acid (CID 1097195) is 3-[(4-bromophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]benzoic acid?
The InChIKey is FSENLNZWRUKHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]benzoic acid?
3-[(4-bromophenyl)sulfamoyl]benzoic acid has a molecular weight of 356.20 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 1097195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).