N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide

C15H17NO4S — CID 2266358

IUPACN-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17NO4S/c1-19-13-7-9-14(10-8-13)20-12-11-16-21(17,18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
InChIKeyPFAWVXWACRPNMZ-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.05
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide

N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide (PubChem CID 2266358) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
PubChem CID2266358
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17NO4S/c1-19-13-7-9-14(10-8-13)20-12-11-16-21(17,18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
InChIKeyPFAWVXWACRPNMZ-UHFFFAOYSA-N
XLogP2.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-methoxyphenoxy)ethyl]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-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide (CID 2266358) is N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide is COc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
The InChIKey is PFAWVXWACRPNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-13-7-9-14(10-8-13)20-12-11-16-21(17,18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide?
N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 2266358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).