4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide

C22H23NO2S — CID 58287505

IUPAC4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide
SMILESCc1ccc(CCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO2S/c1-17-7-11-19(12-8-17)13-14-20-5-3-4-6-22(20)23-26(24,25)21-15-9-18(2)10-16-21/h3-12,15-16,23H,13-14H2,1-2H3
InChIKeySMGHNQCPHACHDZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.89
Rot. Bonds6

About 4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide

4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide (PubChem CID 58287505) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide
PubChem CID58287505
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide
SMILESCc1ccc(CCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO2S/c1-17-7-11-19(12-8-17)13-14-20-5-3-4-6-22(20)23-26(24,25)21-15-9-18(2)10-16-21/h3-12,15-16,23H,13-14H2,1-2H3
InChIKeySMGHNQCPHACHDZ-UHFFFAOYSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide (CID 58287505) is 4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide is Cc1ccc(CCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is SMGHNQCPHACHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-17-7-11-19(12-8-17)13-14-20-5-3-4-6-22(20)23-26(24,25)21-15-9-18(2)10-16-21/h3-12,15-16,23H,13-14H2,1-2H3.
What are the key properties of 4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide?
4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(4-methylphenyl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 58287505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).