4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid

C20H15ClN2O5S — CID 1332631

IUPAC4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C20H15ClN2O5S/c21-18-4-2-1-3-17(18)19(24)22-14-9-11-16(12-10-14)29(27,28)23-15-7-5-13(6-8-15)20(25)26/h1-12,23H,(H,22,24)(H,25,26)
InChIKeyYLVRQLPKTXYKCY-UHFFFAOYSA-N
MW430.87 g/mol
LogP4.09
Rot. Bonds6

About 4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid

4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid (PubChem CID 1332631) has the molecular formula C20H15ClN2O5S and a molecular weight of 430.87 g/mol. Its IUPAC name is 4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid
PubChem CID1332631
Molecular FormulaC20H15ClN2O5S
Molecular Weight430.87 g/mol
Exact Mass430.04
IUPAC Name4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C20H15ClN2O5S/c21-18-4-2-1-3-17(18)19(24)22-14-9-11-16(12-10-14)29(27,28)23-15-7-5-13(6-8-15)20(25)26/h1-12,23H,(H,22,24)(H,25,26)
InChIKeyYLVRQLPKTXYKCY-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

4-(((4-Chlorophenyl)sulfonyl)amino)benzoic acid
CID 39854
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
4-{[(4-Chlorophenyl)sulfonyl](methyl)amino}benzoic acid
CID 729555
Stk156614
CID 1364583
2-[2-Chloro-5-(3-fluoro-phenylsulfamoyl)-benzoylamino]-benzoic acid
CID 1105141
4-[3-(3,4-Dichloro-benzenesulfonylamino)-benzoylamino]-benzoic acid
CID 11979264
4-(((3-Chlorophenyl)sulfonyl)amino)benzoic acid
CID 1299802
Bay-8002
CID 992293
4-[4-(2,5-Dioxo-pyrrolidin-1-yl)-benzenesulfonylamino]-benzoic acid
CID 980643
4-(4-Chloro-3-phenylcarbamoyl-benzenesulfonylamino)-benzoic acid
CID 1087378
3-(2-Chloro-5-p-tolylsulfamoyl-benzoylamino)-benzoic acid
CID 1105117
2-(5-Benzylsulfamoyl-2-chloro-benzoylamino)-benzoic acid
CID 1119036

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid (CID 1332631) is 4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1.
What is the InChIKey of 4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid?
The InChIKey is YLVRQLPKTXYKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5S/c21-18-4-2-1-3-17(18)19(24)22-14-9-11-16(12-10-14)29(27,28)23-15-7-5-13(6-8-15)20(25)26/h1-12,23H,(H,22,24)(H,25,26).
What are the key properties of 4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid?
4-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]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-[[4-[(2-chlorobenzoyl)amino]phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 1332631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).