4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide

C22H22N2O3S — CID 1161046

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-8-6-7-9-19(17)16-23-22(25)18-12-14-20(15-13-18)24(2)28(26,27)21-10-4-3-5-11-21/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyKJUWAXJOPBBIMT-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.75
Rot. Bonds6

About 4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 1161046) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide
PubChem CID1161046
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-8-6-7-9-19(17)16-23-22(25)18-12-14-20(15-13-18)24(2)28(26,27)21-10-4-3-5-11-21/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyKJUWAXJOPBBIMT-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide (CID 1161046) is 4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is KJUWAXJOPBBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-17-8-6-7-9-19(17)16-23-22(25)18-12-14-20(15-13-18)24(2)28(26,27)21-10-4-3-5-11-21/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 1161046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).