N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide

C21H19ClN2O3S — CID 9414091

IUPACN-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-14-6-10-17(11-7-14)24-28(26,27)18-12-8-16(9-13-18)21(25)23-20-5-3-4-19(22)15(20)2/h3-13,24H,1-2H3,(H,23,25)
InChIKeySNGXXLCXGZQCKX-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide

N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 9414091) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID9414091
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-14-6-10-17(11-7-14)24-28(26,27)18-12-8-16(9-13-18)21(25)23-20-5-3-4-19(22)15(20)2/h3-13,24H,1-2H3,(H,23,25)
InChIKeySNGXXLCXGZQCKX-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-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9413988
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 53279919

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 9414091) is N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is SNGXXLCXGZQCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-6-10-17(11-7-14)24-28(26,27)18-12-8-16(9-13-18)21(25)23-20-5-3-4-19(22)15(20)2/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]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-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 9414091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).