4-(2-sulfamoylphenyl)benzoic acid

C13H11NO4S — CID 2760555

IUPAC4-(2-sulfamoylphenyl)benzoic acid
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H11NO4S/c14-19(17,18)12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)
InChIKeyLYHKPAIFSGHBPU-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.70
Rot. Bonds3

About 4-(2-sulfamoylphenyl)benzoic acid

4-(2-sulfamoylphenyl)benzoic acid (PubChem CID 2760555) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(2-sulfamoylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(2-sulfamoylphenyl)benzoic acid
PubChem CID2760555
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name4-(2-sulfamoylphenyl)benzoic acid
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H11NO4S/c14-19(17,18)12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)
InChIKeyLYHKPAIFSGHBPU-UHFFFAOYSA-N
XLogP1.70
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carzenide
CID 8739
Dithiodibenzoic acid
CID 8409
2-Sulfamoylbenzoic acid
CID 69436
2-Sulfobenzoic acid
CID 12438
2-(Hydroxysulfamoyl)benzoic acid
CID 23645548
9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide
CID 40118
Benzoic acid, 2-sulfo-, ammonium salt (1:1)
CID 44630471
4-(4-Aminosulfonylphenyl)benzoic acid
CID 53426278
2-(Benzylsulfonyl)benzoic acid
CID 561426
2-(Benzylsulfamoyl)benzoic acid
CID 83379931
3-Sulfamoylbenzoic acid
CID 229352
3-(Methylsulfamoyl)benzoic acid
CID 252654

Frequently Asked Questions

What is the IUPAC name of 4-(2-sulfamoylphenyl)benzoic acid?
The IUPAC name of 4-(2-sulfamoylphenyl)benzoic acid (CID 2760555) is 4-(2-sulfamoylphenyl)benzoic acid.
What is the SMILES notation for 4-(2-sulfamoylphenyl)benzoic acid?
The canonical SMILES for 4-(2-sulfamoylphenyl)benzoic acid is NS(=O)(=O)c1ccccc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-sulfamoylphenyl)benzoic acid?
The InChIKey is LYHKPAIFSGHBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c14-19(17,18)12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18).
What are the key properties of 4-(2-sulfamoylphenyl)benzoic acid?
4-(2-sulfamoylphenyl)benzoic acid has a molecular weight of 277.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-sulfamoylphenyl)benzoic acid is sourced from PubChem (CID 2760555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).