N-benzyl-4-methoxy-N-methylbenzenesulfonamide

C15H17NO3S — CID 669091

IUPACN-benzyl-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-16(12-13-6-4-3-5-7-13)20(17,18)15-10-8-14(19-2)9-11-15/h3-11H,12H2,1-2H3
InChIKeyXSAVTRYTOUEPHV-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.52
Rot. Bonds5

About N-benzyl-4-methoxy-N-methylbenzenesulfonamide

N-benzyl-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 669091) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N-methylbenzenesulfonamide
PubChem CID669091
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-benzyl-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-16(12-13-6-4-3-5-7-13)20(17,18)15-10-8-14(19-2)9-11-15/h3-11H,12H2,1-2H3
InChIKeyXSAVTRYTOUEPHV-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-methoxy-N-methylbenzenesulfonamide 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-benzyl-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-methoxy-N-methylbenzenesulfonamide (CID 669091) is N-benzyl-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is XSAVTRYTOUEPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-16(12-13-6-4-3-5-7-13)20(17,18)15-10-8-14(19-2)9-11-15/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-4-methoxy-N-methylbenzenesulfonamide?
N-benzyl-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 669091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).