2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid

C21H17ClN2O5S — CID 1356310

IUPAC2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)O)c2)cc1
InChIInChI=1S/C21H17ClN2O5S/c1-13-6-8-14(9-7-13)24-30(28,29)15-10-11-18(22)17(12-15)20(25)23-19-5-3-2-4-16(19)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)
InChIKeyADAXLRYUIIEZRE-UHFFFAOYSA-N
MW444.90 g/mol
LogP4.40
Rot. Bonds6

About 2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid

2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid (PubChem CID 1356310) has the molecular formula C21H17ClN2O5S and a molecular weight of 444.90 g/mol. Its IUPAC name is 2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
PubChem CID1356310
Molecular FormulaC21H17ClN2O5S
Molecular Weight444.90 g/mol
Exact Mass444.05
IUPAC Name2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)O)c2)cc1
InChIInChI=1S/C21H17ClN2O5S/c1-13-6-8-14(9-7-13)24-30(28,29)15-10-11-18(22)17(12-15)20(25)23-19-5-3-2-4-16(19)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)
InChIKeyADAXLRYUIIEZRE-UHFFFAOYSA-N
XLogP4.40
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 28572809
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28566679
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778797
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
2-chloro-N-(2-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43910411
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate
CID 92685301
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid (CID 1356310) is 2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)O)c2)cc1.
What is the InChIKey of 2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The InChIKey is ADAXLRYUIIEZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5S/c1-13-6-8-14(9-7-13)24-30(28,29)15-10-11-18(22)17(12-15)20(25)23-19-5-3-2-4-16(19)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27).
What are the key properties of 2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid has a molecular weight of 444.90 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid is sourced from PubChem (CID 1356310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).