N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide

C15H17NO2S — CID 743583

IUPACN-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C15H17NO2S/c1-12-8-13(2)10-15(9-12)16-19(17,18)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyBJIPKHQHNGQZRO-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.25
Rot. Bonds4

About N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide

N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide (PubChem CID 743583) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide
PubChem CID743583
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C15H17NO2S/c1-12-8-13(2)10-15(9-12)16-19(17,18)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyBJIPKHQHNGQZRO-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide (CID 743583) is N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide is Cc1cc(C)cc(NS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is BJIPKHQHNGQZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12-8-13(2)10-15(9-12)16-19(17,18)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide?
N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 743583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).