N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide

C22H22N2O3S — CID 130431474

IUPACN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-7-5-6-10-21(17)22(25)23-15-18-11-13-19(14-12-18)16-24-28(26,27)20-8-3-2-4-9-20/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKeyJASWUFHRYZRUKX-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.40
Rot. Bonds7

About N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide

N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide (PubChem CID 130431474) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide
PubChem CID130431474
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-7-5-6-10-21(17)22(25)23-15-18-11-13-19(14-12-18)16-24-28(26,27)20-8-3-2-4-9-20/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKeyJASWUFHRYZRUKX-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide (CID 130431474) is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide?
The InChIKey is JASWUFHRYZRUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-17-7-5-6-10-21(17)22(25)23-15-18-11-13-19(14-12-18)16-24-28(26,27)20-8-3-2-4-9-20/h2-14,24H,15-16H2,1H3,(H,23,25).
What are the key properties of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide?
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 130431474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).