4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide

C23H24N2O3S — CID 15990883

IUPAC4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-18-7-9-19(10-8-18)15-16-24-23(26)21-13-11-20(12-14-21)17-25-29(27,28)22-5-3-2-4-6-22/h2-14,25H,15-17H2,1H3,(H,24,26)
InChIKeyHKSNNGYZQLTEBH-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.45
Rot. Bonds8

About 4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide

4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide (PubChem CID 15990883) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide
PubChem CID15990883
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-18-7-9-19(10-8-18)15-16-24-23(26)21-13-11-20(12-14-21)17-25-29(27,28)22-5-3-2-4-6-22/h2-14,25H,15-17H2,1H3,(H,24,26)
InChIKeyHKSNNGYZQLTEBH-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide (CID 15990883) is 4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide is Cc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide?
The InChIKey is HKSNNGYZQLTEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-18-7-9-19(10-8-18)15-16-24-23(26)21-13-11-20(12-14-21)17-25-29(27,28)22-5-3-2-4-6-22/h2-14,25H,15-17H2,1H3,(H,24,26).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide?
4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide has a molecular weight of 408.52 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-[2-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 15990883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).