N-(4-methylphenyl)iminobenzenesulfonamide

C13H12N2O2S — CID 10869025

IUPACN-(4-methylphenyl)iminobenzenesulfonamide
SMILESCc1ccc(/N=N/S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12N2O2S/c1-11-7-9-12(10-8-11)14-15-18(16,17)13-5-3-2-4-6-13/h2-10H,1H3/b15-14+
InChIKeyMHXANCKWNJXVLD-CCEZHUSRSA-N
MW260.32 g/mol
LogP3.47
Rot. Bonds3

About N-(4-methylphenyl)iminobenzenesulfonamide

N-(4-methylphenyl)iminobenzenesulfonamide (PubChem CID 10869025) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(4-methylphenyl)iminobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)iminobenzenesulfonamide
PubChem CID10869025
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-(4-methylphenyl)iminobenzenesulfonamide
SMILESCc1ccc(/N=N/S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12N2O2S/c1-11-7-9-12(10-8-11)14-15-18(16,17)13-5-3-2-4-6-13/h2-10H,1H3/b15-14+
InChIKeyMHXANCKWNJXVLD-CCEZHUSRSA-N
XLogP3.47
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)iminobenzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)iminobenzenesulfonamide (CID 10869025) is N-(4-methylphenyl)iminobenzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)iminobenzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)iminobenzenesulfonamide is Cc1ccc(/N=N/S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)iminobenzenesulfonamide?
The InChIKey is MHXANCKWNJXVLD-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-11-7-9-12(10-8-11)14-15-18(16,17)13-5-3-2-4-6-13/h2-10H,1H3/b15-14+.
What are the key properties of N-(4-methylphenyl)iminobenzenesulfonamide?
N-(4-methylphenyl)iminobenzenesulfonamide has a molecular weight of 260.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)iminobenzenesulfonamide is sourced from PubChem (CID 10869025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).