2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid

C15H13NO5S — CID 152904860

IUPAC2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid
SMILESNS(=O)(=O)c1ccccc1CC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H13NO5S/c16-22(20,21)14-8-4-1-5-10(14)9-13(17)11-6-2-3-7-12(11)15(18)19/h1-8H,9H2,(H,18,19)(H2,16,20,21)
InChIKeyUGAQYFJSSQCFJO-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.46
Rot. Bonds5

About 2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid

2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid (PubChem CID 152904860) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid
PubChem CID152904860
Molecular FormulaC15H13NO5S
Molecular Weight319.34 g/mol
Exact Mass319.05
IUPAC Name2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid
SMILESNS(=O)(=O)c1ccccc1CC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H13NO5S/c16-22(20,21)14-8-4-1-5-10(14)9-13(17)11-6-2-3-7-12(11)15(18)19/h1-8H,9H2,(H,18,19)(H2,16,20,21)
InChIKeyUGAQYFJSSQCFJO-UHFFFAOYSA-N
XLogP1.46
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22246250
2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
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2-benzylbenzenesulfonamide;methane
CID 175312349
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
dilithium;hydride;phthalic acid
CID 173011412
methanediol;phthalic acid
CID 70525231
benzene-1,2-diol;phthalic acid
CID 160861167
phthalic acid;hydrobromide
CID 71236392
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
2-[amino(tetraethyl)-λ6-sulfanyl]sulfonylbenzoic acid
CID 90803058
2-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 69182114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid?
The IUPAC name of 2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid (CID 152904860) is 2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid?
The canonical SMILES for 2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid is NS(=O)(=O)c1ccccc1CC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid?
The InChIKey is UGAQYFJSSQCFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5S/c16-22(20,21)14-8-4-1-5-10(14)9-13(17)11-6-2-3-7-12(11)15(18)19/h1-8H,9H2,(H,18,19)(H2,16,20,21).
What are the key properties of 2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid?
2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid has a molecular weight of 319.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid is sourced from PubChem (CID 152904860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).