3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide

C21H19ClN2O3S — CID 1020081

IUPAC3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-10-15(2)12-17(11-14)23-21(25)16-8-9-19(22)20(13-16)24-28(26,27)18-6-4-3-5-7-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyKSZJDWMXWOHVCG-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

About 3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide

3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide (PubChem CID 1020081) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
PubChem CID1020081
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-10-15(2)12-17(11-14)23-21(25)16-8-9-19(22)20(13-16)24-28(26,27)18-6-4-3-5-7-18/h3-13,24H,1-2H3,(H,23,25)
InChIKeyKSZJDWMXWOHVCG-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

4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 11839556
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 92678447
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
4-chloro-3-(dimethylsulfamoylamino)-N-phenylbenzamide
CID 13322352
N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789534

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide (CID 1020081) is 3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide is Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide?
The InChIKey is KSZJDWMXWOHVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-10-15(2)12-17(11-14)23-21(25)16-8-9-19(22)20(13-16)24-28(26,27)18-6-4-3-5-7-18/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide?
3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)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 3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 1020081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).