N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide

C15H16N2O3S — CID 21343022

IUPACN-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide
SMILESCOc1c(C)cc(C)cc1/N=N/S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-11-9-12(2)15(20-3)14(10-11)16-17-21(18,19)13-7-5-4-6-8-13/h4-10H,1-3H3/b17-16+
InChIKeyYOINTWUNICIASC-WUKNDPDISA-N
MW304.37 g/mol
LogP3.78
Rot. Bonds4

About N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide

N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide (PubChem CID 21343022) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide
PubChem CID21343022
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide
SMILESCOc1c(C)cc(C)cc1/N=N/S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-11-9-12(2)15(20-3)14(10-11)16-17-21(18,19)13-7-5-4-6-8-13/h4-10H,1-3H3/b17-16+
InChIKeyYOINTWUNICIASC-WUKNDPDISA-N
XLogP3.78
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide?
The IUPAC name of N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide (CID 21343022) is N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide is COc1c(C)cc(C)cc1/N=N/S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide?
The InChIKey is YOINTWUNICIASC-WUKNDPDISA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11-9-12(2)15(20-3)14(10-11)16-17-21(18,19)13-7-5-4-6-8-13/h4-10H,1-3H3/b17-16+.
What are the key properties of N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide?
N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide is sourced from PubChem (CID 21343022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).