1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid

C15H11ClN4O6S — CID 19858165

IUPAC1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESNS(=O)(=O)c1cc(C(=O)Nn2c(=O)[nH]c3cc(C(=O)O)ccc32)ccc1Cl
InChIInChI=1S/C15H11ClN4O6S/c16-9-3-1-7(6-12(9)27(17,25)26)13(21)19-20-11-4-2-8(14(22)23)5-10(11)18-15(20)24/h1-6H,(H,18,24)(H,19,21)(H,22,23)(H2,17,25,26)
InChIKeyDULZSSRXSZYIOY-UHFFFAOYSA-N
MW410.80 g/mol
LogP0.71
Rot. Bonds4

About 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid

1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid (PubChem CID 19858165) has the molecular formula C15H11ClN4O6S and a molecular weight of 410.80 g/mol. Its IUPAC name is 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid
PubChem CID19858165
Molecular FormulaC15H11ClN4O6S
Molecular Weight410.80 g/mol
Exact Mass410.01
IUPAC Name1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESNS(=O)(=O)c1cc(C(=O)Nn2c(=O)[nH]c3cc(C(=O)O)ccc32)ccc1Cl
InChIInChI=1S/C15H11ClN4O6S/c16-9-3-1-7(6-12(9)27(17,25)26)13(21)19-20-11-4-2-8(14(22)23)5-10(11)18-15(20)24/h1-6H,(H,18,24)(H,19,21)(H,22,23)(H2,17,25,26)
InChIKeyDULZSSRXSZYIOY-UHFFFAOYSA-N
XLogP0.71
TPSA164.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.80
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-Chloro-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzoic acid
CID 2100730
1-(4'-Chloro-3'-sulfamoylbenzoyl)amino-5-methoxycarbonylbenzimidazole-2-thione
CID 19858110
1-(4'-Chloro-3'-sulfamoylbenzoyl)amino-5-methoxycarbonylbenzimidazolone
CID 19858119
1-(4'-Chloro-3'-sulfamoylbenzoyl)amino-5-carboxybenzimidazole-2-thione
CID 19858129
1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid;hydrate
CID 19858161
4-[(4-Chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid
CID 19858166
4-[Amino-(4-chloro-3-sulfamoylbenzoyl)amino]benzoic acid
CID 70397721
4-carboxy-2-nitro-N-(4'-chloro-3'-sulfamoyl-benzoyl)phenylhydrazine
CID 86743843
2-amino-4-methoxycarbonyl-N-(4'-chloro-3'-sulfamoylbenzoyl)phenylhydrazine
CID 86743845
4-amino-1-(4-chloro-3-sulfamoylbenzoyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 145808292
3-Amino-4-[amino-(4-chloro-3-sulfamoylbenzoyl)amino]benzoic acid
CID 145808297
4-amino-1-(4-chloro-3-sulfamoylbenzoyl)-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid
CID 150112459

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid (CID 19858165) is 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid is NS(=O)(=O)c1cc(C(=O)Nn2c(=O)[nH]c3cc(C(=O)O)ccc32)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The InChIKey is DULZSSRXSZYIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O6S/c16-9-3-1-7(6-12(9)27(17,25)26)13(21)19-20-11-4-2-8(14(22)23)5-10(11)18-15(20)24/h1-6H,(H,18,24)(H,19,21)(H,22,23)(H2,17,25,26).
What are the key properties of 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid?
1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid has a molecular weight of 410.80 g/mol, XLogP of 0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxo-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 19858165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).