2-chloro-5-(4-sulfamoylanilino)benzoic acid

C13H11ClN2O4S — CID 60860550

IUPAC2-chloro-5-(4-sulfamoylanilino)benzoic acid
SMILESNS(=O)(=O)c1ccc(Nc2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C13H11ClN2O4S/c14-12-6-3-9(7-11(12)13(17)18)16-8-1-4-10(5-2-8)21(15,19)20/h1-7,16H,(H,17,18)(H2,15,19,20)
InChIKeyCDUZXKUSQWBGAU-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-5-(4-sulfamoylanilino)benzoic acid

2-chloro-5-(4-sulfamoylanilino)benzoic acid (PubChem CID 60860550) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-chloro-5-(4-sulfamoylanilino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(4-sulfamoylanilino)benzoic acid
PubChem CID60860550
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name2-chloro-5-(4-sulfamoylanilino)benzoic acid
SMILESNS(=O)(=O)c1ccc(Nc2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C13H11ClN2O4S/c14-12-6-3-9(7-11(12)13(17)18)16-8-1-4-10(5-2-8)21(15,19)20/h1-7,16H,(H,17,18)(H2,15,19,20)
InChIKeyCDUZXKUSQWBGAU-UHFFFAOYSA-N
XLogP2.43
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;2-chloro-5-sulfamoylbenzoic acid;hydride
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2-chloro-5-(sulfoamino)benzoic acid
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2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
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3,5-dinitro-2-(4-sulfamoylanilino)benzoic acid
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2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
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2-chloro-5-(cyclopropylsulfonylamino)benzoic acid
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3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
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5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-sulfamoylanilino)benzoic acid?
The IUPAC name of 2-chloro-5-(4-sulfamoylanilino)benzoic acid (CID 60860550) is 2-chloro-5-(4-sulfamoylanilino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(4-sulfamoylanilino)benzoic acid?
The canonical SMILES for 2-chloro-5-(4-sulfamoylanilino)benzoic acid is NS(=O)(=O)c1ccc(Nc2ccc(Cl)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-chloro-5-(4-sulfamoylanilino)benzoic acid?
The InChIKey is CDUZXKUSQWBGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c14-12-6-3-9(7-11(12)13(17)18)16-8-1-4-10(5-2-8)21(15,19)20/h1-7,16H,(H,17,18)(H2,15,19,20).
What are the key properties of 2-chloro-5-(4-sulfamoylanilino)benzoic acid?
2-chloro-5-(4-sulfamoylanilino)benzoic acid has a molecular weight of 326.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-sulfamoylanilino)benzoic acid is sourced from PubChem (CID 60860550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).