4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

C16H19NO2S — CID 3792279

IUPAC4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NO2S/c1-12-4-8-15(9-5-12)14(3)17-20(18,19)16-10-6-13(2)7-11-16/h4-11,14,17H,1-3H3
InChIKeyPFJGAQOIDVXTFN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.34
Rot. Bonds4

About 4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 3792279) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID3792279
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NO2S/c1-12-4-8-15(9-5-12)14(3)17-20(18,19)16-10-6-13(2)7-11-16/h4-11,14,17H,1-3H3
InChIKeyPFJGAQOIDVXTFN-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (CID 3792279) is 4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is PFJGAQOIDVXTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-4-8-15(9-5-12)14(3)17-20(18,19)16-10-6-13(2)7-11-16/h4-11,14,17H,1-3H3.
What are the key properties of 4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3792279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).