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

C20H19NO2S — CID 135075046

IUPAC4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19NO2S/c1-15-7-11-17(12-8-15)19-5-3-4-6-20(19)21-24(22,23)18-13-9-16(2)10-14-18/h3-14,21H,1-2H3
InChIKeyZFOAUQNQWXTQTC-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.77
Rot. Bonds4

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

4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide (PubChem CID 135075046) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide
PubChem CID135075046
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19NO2S/c1-15-7-11-17(12-8-15)19-5-3-4-6-20(19)21-24(22,23)18-13-9-16(2)10-14-18/h3-14,21H,1-2H3
InChIKeyZFOAUQNQWXTQTC-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.77
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-(4-methylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide (CID 135075046) is 4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide is Cc1ccc(-c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide?
The InChIKey is ZFOAUQNQWXTQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-15-7-11-17(12-8-15)19-5-3-4-6-20(19)21-24(22,23)18-13-9-16(2)10-14-18/h3-14,21H,1-2H3.
What are the key properties of 4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide?
4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 135075046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).