4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide

C17H22N2O6S2 — CID 4919376

IUPAC4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCS(=O)(=O)NCCOc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H22N2O6S2/c1-26(20,21)18-11-13-25-16-7-9-17(10-8-16)27(22,23)19-12-14-24-15-5-3-2-4-6-15/h2-10,18-19H,11-14H2,1H3
InChIKeyBTYLDBWUCDIMCH-UHFFFAOYSA-N
MW414.51 g/mol
LogP0.97
Rot. Bonds11

About 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide

4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide (PubChem CID 4919376) has the molecular formula C17H22N2O6S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide
PubChem CID4919376
Molecular FormulaC17H22N2O6S2
Molecular Weight414.51 g/mol
Exact Mass414.09
IUPAC Name4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCS(=O)(=O)NCCOc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H22N2O6S2/c1-26(20,21)18-11-13-25-16-7-9-17(10-8-16)27(22,23)19-12-14-24-15-5-3-2-4-6-15/h2-10,18-19H,11-14H2,1H3
InChIKeyBTYLDBWUCDIMCH-UHFFFAOYSA-N
XLogP0.97
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)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 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide?
The IUPAC name of 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide (CID 4919376) is 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide is CS(=O)(=O)NCCOc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide?
The InChIKey is BTYLDBWUCDIMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S2/c1-26(20,21)18-11-13-25-16-7-9-17(10-8-16)27(22,23)19-12-14-24-15-5-3-2-4-6-15/h2-10,18-19H,11-14H2,1H3.
What are the key properties of 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide?
4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 0.97, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethoxy]-N-(2-phenoxyethyl)benzenesulfonamide is sourced from PubChem (CID 4919376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).