N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide

C16H19NO3S — CID 2190160

IUPACN-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(18,19)17-11-12-20-2/h3-10,17H,11-12H2,1-2H3
InChIKeyXVUNRWYNNAVEIQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.59
Rot. Bonds6

About N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide

N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide (PubChem CID 2190160) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide
PubChem CID2190160
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(18,19)17-11-12-20-2/h3-10,17H,11-12H2,1-2H3
InChIKeyXVUNRWYNNAVEIQ-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-4-(4-methylphenyl)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-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide (CID 2190160) is N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide?
The InChIKey is XVUNRWYNNAVEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(18,19)17-11-12-20-2/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide?
N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2190160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).