N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide

C16H19NO3S — CID 894430

IUPACN-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C16H19NO3S/c1-4-13-5-7-14(8-6-13)17-21(18,19)15-9-10-16(20-3)12(2)11-15/h5-11,17H,4H2,1-3H3
InChIKeyLYHITQZZJPLVPO-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.37
Rot. Bonds5

About N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide

N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 894430) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID894430
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C16H19NO3S/c1-4-13-5-7-14(8-6-13)17-21(18,19)15-9-10-16(20-3)12(2)11-15/h5-11,17H,4H2,1-3H3
InChIKeyLYHITQZZJPLVPO-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylphenyl)-4-methoxy-3-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-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide (CID 894430) is N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is LYHITQZZJPLVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-13-5-7-14(8-6-13)17-21(18,19)15-9-10-16(20-3)12(2)11-15/h5-11,17H,4H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 894430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).