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

C15H17NO2S — CID 789719

IUPAC4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C15H17NO2S/c1-12-7-9-15(10-8-12)19(17,18)16-11-14-6-4-3-5-13(14)2/h3-10,16H,11H2,1-2H3
InChIKeyLEYSMLJYTRMAED-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.78
Rot. Bonds4

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

4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 789719) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID789719
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C15H17NO2S/c1-12-7-9-15(10-8-12)19(17,18)16-11-14-6-4-3-5-13(14)2/h3-10,16H,11H2,1-2H3
InChIKeyLEYSMLJYTRMAED-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.78
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-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 789719) is 4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2C)cc1.
What is the InChIKey of 4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is LEYSMLJYTRMAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12-7-9-15(10-8-12)19(17,18)16-11-14-6-4-3-5-13(14)2/h3-10,16H,11H2,1-2H3.
What are the key properties of 4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 2.78, 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-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 789719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).