3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide

C21H19ClN2O3S — CID 24660209

IUPAC3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-24(15-16-7-5-9-18(22)13-16)21(25)17-8-6-10-19(14-17)23-28(26,27)20-11-3-2-4-12-20/h2-14,23H,15H2,1H3
InChIKeyJPGWLIXYXWLOLR-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.41
Rot. Bonds6

About 3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide

3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide (PubChem CID 24660209) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
PubChem CID24660209
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-24(15-16-7-5-9-18(22)13-16)21(25)17-8-6-10-19(14-17)23-28(26,27)20-11-3-2-4-12-20/h2-14,23H,15H2,1H3
InChIKeyJPGWLIXYXWLOLR-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 46446299
N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide
CID 154760114
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-chlorophenyl)sulfamoyl]-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide (CID 24660209) is 3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(Cl)c1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is JPGWLIXYXWLOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-24(15-16-7-5-9-18(22)13-16)21(25)17-8-6-10-19(14-17)23-28(26,27)20-11-3-2-4-12-20/h2-14,23H,15H2,1H3.
What are the key properties of 3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 414.91 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 24660209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).