4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid

C20H14Cl2N2O5S — CID 12017243

IUPAC4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2c(Cl)cccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14Cl2N2O5S/c21-13-6-10-15(11-7-13)30(28,29)24-17-3-1-2-16(22)18(17)19(25)23-14-8-4-12(5-9-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeyUFMYTSNRWYQPGI-UHFFFAOYSA-N
MW465.31 g/mol
LogP4.74
Rot. Bonds6

About 4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid

4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid (PubChem CID 12017243) has the molecular formula C20H14Cl2N2O5S and a molecular weight of 465.31 g/mol. Its IUPAC name is 4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
PubChem CID12017243
Molecular FormulaC20H14Cl2N2O5S
Molecular Weight465.31 g/mol
Exact Mass464.00
IUPAC Name4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2c(Cl)cccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14Cl2N2O5S/c21-13-6-10-15(11-7-13)30(28,29)24-17-3-1-2-16(22)18(17)19(25)23-14-8-4-12(5-9-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeyUFMYTSNRWYQPGI-UHFFFAOYSA-N
XLogP4.74
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.31
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-chloro-6-[(4-chlorophenoxy)amino]benzoyl]amino]benzoic acid
CID 23378613
4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
CID 12017247
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 126181507
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
CID 58892095
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 2226252
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid (CID 12017243) is 4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2c(Cl)cccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The InChIKey is UFMYTSNRWYQPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O5S/c21-13-6-10-15(11-7-13)30(28,29)24-17-3-1-2-16(22)18(17)19(25)23-14-8-4-12(5-9-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27).
What are the key properties of 4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid?
4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid has a molecular weight of 465.31 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 12017243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).