4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid

C20H15ClN2O5S — CID 1113191

IUPAC4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H15ClN2O5S/c21-15-6-10-17(11-7-15)23-29(27,28)18-3-1-2-14(12-18)19(24)22-16-8-4-13(5-9-16)20(25)26/h1-12,23H,(H,22,24)(H,25,26)
InChIKeyJEXCKJDKNLTMRI-UHFFFAOYSA-N
MW430.87 g/mol
LogP4.09
Rot. Bonds6

About 4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid

4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid (PubChem CID 1113191) has the molecular formula C20H15ClN2O5S and a molecular weight of 430.87 g/mol. Its IUPAC name is 4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
PubChem CID1113191
Molecular FormulaC20H15ClN2O5S
Molecular Weight430.87 g/mol
Exact Mass430.04
IUPAC Name4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H15ClN2O5S/c21-15-6-10-17(11-7-15)23-29(27,28)18-3-1-2-14(12-18)19(24)22-16-8-4-13(5-9-16)20(25)26/h1-12,23H,(H,22,24)(H,25,26)
InChIKeyJEXCKJDKNLTMRI-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-[Benzyl(4-chlorophenyl)sulfamoyl]-4-chlorobenzoic acid
CID 2357151
4-(((4-Chlorophenyl)sulfonyl)amino)benzoic acid
CID 39854
3-[Benzyl(2-chlorophenyl)sulfamoyl]benzoic acid
CID 2385977
3-[Benzyl(phenyl)sulfamoyl]-4-chlorobenzoic acid
CID 2440137
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
4-{[(4-Chlorophenyl)sulfonyl](methyl)amino}benzoic acid
CID 729555
2-[2-Chloro-5-(3-fluoro-phenylsulfamoyl)-benzoylamino]-benzoic acid
CID 1105141
3-[Benzyl(4-chlorophenyl)sulfamoyl]benzoic acid
CID 2428434
5-[Benzyl(4-chlorophenyl)sulfamoyl]-2-chlorobenzoic acid
CID 3739036
4-[3-(3,4-Dichloro-benzenesulfonylamino)-benzoylamino]-benzoic acid
CID 11979264
Tert-butyl 4-[(4-chloro-3-sulfamoylbenzoyl)amino]benzoate
CID 162715155
4-(((3-Chlorophenyl)sulfonyl)amino)benzoic acid
CID 1299802

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid (CID 1113191) is 4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The InChIKey is JEXCKJDKNLTMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5S/c21-15-6-10-17(11-7-15)23-29(27,28)18-3-1-2-14(12-18)19(24)22-16-8-4-13(5-9-16)20(25)26/h1-12,23H,(H,22,24)(H,25,26).
What are the key properties of 4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid?
4-[[3-[(4-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 4-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid is sourced from PubChem (CID 1113191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).