2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid

C20H15ClN2O5S — CID 10296361

IUPAC2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H15ClN2O5S/c21-14-6-4-7-15(12-14)23-29(27,28)16-8-3-5-13(11-16)19(24)22-18-10-2-1-9-17(18)20(25)26/h1-12,23H,(H,22,24)(H,25,26)
InChIKeyHRCPEDMNISCCLE-UHFFFAOYSA-N
MW430.87 g/mol
LogP4.09
Rot. Bonds6

About 2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid

2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid (PubChem CID 10296361) has the molecular formula C20H15ClN2O5S and a molecular weight of 430.87 g/mol. Its IUPAC name is 2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
PubChem CID10296361
Molecular FormulaC20H15ClN2O5S
Molecular Weight430.87 g/mol
Exact Mass430.04
IUPAC Name2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H15ClN2O5S/c21-14-6-4-7-15(12-14)23-29(27,28)16-8-3-5-13(11-16)19(24)22-18-10-2-1-9-17(18)20(25)26/h1-12,23H,(H,22,24)(H,25,26)
InChIKeyHRCPEDMNISCCLE-UHFFFAOYSA-N
XLogP4.09
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10183345
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 36925968
2-[[3-[(4-nitrophenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 3761371
2-chloro-N-[2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]ethyl]benzamide
CID 55659484
N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 46454566
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300326
N-(4-acetamido-3-chlorophenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 25471428
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 4100122

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid (CID 10296361) is 2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The InChIKey is HRCPEDMNISCCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5S/c21-14-6-4-7-15(12-14)23-29(27,28)16-8-3-5-13(11-16)19(24)22-18-10-2-1-9-17(18)20(25)26/h1-12,23H,(H,22,24)(H,25,26).
What are the key properties of 2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid has a molecular weight of 430.87 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid is sourced from PubChem (CID 10296361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).