N-[(2-methylphenyl)methyl]benzenesulfonamide

C14H15NO2S — CID 789717

IUPACN-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-12-7-5-6-8-13(12)11-15-18(16,17)14-9-3-2-4-10-14/h2-10,15H,11H2,1H3
InChIKeyBDQASHYPGQBKMG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.47
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 789717) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID789717
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-12-7-5-6-8-13(12)11-15-18(16,17)14-9-3-2-4-10-14/h2-10,15H,11H2,1H3
InChIKeyBDQASHYPGQBKMG-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-methylphenyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 789717) is N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is BDQASHYPGQBKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-12-7-5-6-8-13(12)11-15-18(16,17)14-9-3-2-4-10-14/h2-10,15H,11H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]benzenesulfonamide?
N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 789717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).