2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid

C15H12N2O6S — CID 66586698

IUPAC2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid
SMILESNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H12N2O6S/c16-13(18)9-5-7-10(8-6-9)24(22,23)17-14(19)11-3-1-2-4-12(11)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyQGDOYZYOXXDRJE-UHFFFAOYSA-N
MW348.34 g/mol
LogP0.60
Rot. Bonds5

About 2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid

2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid (PubChem CID 66586698) has the molecular formula C15H12N2O6S and a molecular weight of 348.34 g/mol. Its IUPAC name is 2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid
PubChem CID66586698
Molecular FormulaC15H12N2O6S
Molecular Weight348.34 g/mol
Exact Mass348.04
IUPAC Name2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid
SMILESNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H12N2O6S/c16-13(18)9-5-7-10(8-6-9)24(22,23)17-14(19)11-3-1-2-4-12(11)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyQGDOYZYOXXDRJE-UHFFFAOYSA-N
XLogP0.60
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(benzenesulfonyl)benzamide
CID 12876556
4-[[(2R)-2-methoxy-2-phenylacetyl]sulfamoyl]benzamide
CID 95300549
N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide
CID 56795776
4-(methylsulfamoyl)benzamide
CID 43241290
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
benzenesulfonic acid;2-carbamoylbenzoic acid
CID 174555047
calcium 2-[[4-(hydroxymethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoic acid
CID 3085162
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
2-[(4-carbamoylphenyl)carbamothioyl]benzoic acid
CID 154992324
CID 66717184
CID 66717184
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid (CID 66586698) is 2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid is NC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid?
The InChIKey is QGDOYZYOXXDRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S/c16-13(18)9-5-7-10(8-6-9)24(22,23)17-14(19)11-3-1-2-4-12(11)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid?
2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid has a molecular weight of 348.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid is sourced from PubChem (CID 66586698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).