N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

C21H19ClN2O3S — CID 9411375

IUPACN-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-7-8-15(2)20(13-14)28(26,27)24-17-11-9-16(10-12-17)21(25)23-19-6-4-3-5-18(19)22/h3-13,24H,1-2H3,(H,23,25)
InChIKeyYIXSRGHJMWQZPP-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

About N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 9411375) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
PubChem CID9411375
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-7-8-15(2)20(13-14)28(26,27)24-17-11-9-16(10-12-17)21(25)23-19-6-4-3-5-18(19)22/h3-13,24H,1-2H3,(H,23,25)
InChIKeyYIXSRGHJMWQZPP-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide
CID 2353142
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126412486
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 126411653
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2213935
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide (CID 9411375) is N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)c1.
What is the InChIKey of N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is YIXSRGHJMWQZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-7-8-15(2)20(13-14)28(26,27)24-17-11-9-16(10-12-17)21(25)23-19-6-4-3-5-18(19)22/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 414.91 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 9411375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).