3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid

C11H8BrNO4S2 — CID 66352575

IUPAC3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccsc2)c(Br)c1
InChIInChI=1S/C11H8BrNO4S2/c12-9-5-7(11(14)15)1-2-10(9)19(16,17)13-8-3-4-18-6-8/h1-6,13H,(H,14,15)
InChIKeyWNALBLUCNFACIC-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.01
Rot. Bonds4

About 3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid

3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid (PubChem CID 66352575) has the molecular formula C11H8BrNO4S2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid
PubChem CID66352575
Molecular FormulaC11H8BrNO4S2
Molecular Weight362.23 g/mol
Exact Mass360.91
IUPAC Name3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccsc2)c(Br)c1
InChIInChI=1S/C11H8BrNO4S2/c12-9-5-7(11(14)15)1-2-10(9)19(16,17)13-8-3-4-18-6-8/h1-6,13H,(H,14,15)
InChIKeyWNALBLUCNFACIC-UHFFFAOYSA-N
XLogP3.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid
CID 81471366
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
3-bromo-4-[(3,4-dimethylphenyl)sulfamoyl]benzoic acid
CID 78850990
3-bromo-4-(2-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 61473152
3-bromo-4-(dimethylaminosulfamoyl)benzoic acid
CID 83004570
3-bromo-4-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 43528174
4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66350557
3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015
3-bromo-4-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83003597
3-amino-4-[(4-bromophenyl)sulfamoyl]benzoic acid
CID 81452961
3-bromo-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
CID 28540514
3-bromo-4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]benzoic acid
CID 62518923

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid (CID 66352575) is 3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccsc2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid?
The InChIKey is WNALBLUCNFACIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4S2/c12-9-5-7(11(14)15)1-2-10(9)19(16,17)13-8-3-4-18-6-8/h1-6,13H,(H,14,15).
What are the key properties of 3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid?
3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid has a molecular weight of 362.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 66352575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).