4-ethyl-N-(oxolan-3-yl)benzenesulfonamide

C12H17NO3S — CID 110868831

IUPAC4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCOC2)cc1
InChIInChI=1S/C12H17NO3S/c1-2-10-3-5-12(6-4-10)17(14,15)13-11-7-8-16-9-11/h3-6,11,13H,2,7-9H2,1H3
InChIKeyAQJVUHILZOEXRP-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.32
Rot. Bonds4

About 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide

4-ethyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 110868831) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID110868831
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCOC2)cc1
InChIInChI=1S/C12H17NO3S/c1-2-10-3-5-12(6-4-10)17(14,15)13-11-7-8-16-9-11/h3-6,11,13H,2,7-9H2,1H3
InChIKeyAQJVUHILZOEXRP-UHFFFAOYSA-N
XLogP1.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072287
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
3-(ethylaminomethyl)-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072571
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072474
4-methoxy-3-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868838
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
4-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 700216
4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99819137
4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 70734205

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide (CID 110868831) is 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CCOC2)cc1.
What is the InChIKey of 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is AQJVUHILZOEXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-2-10-3-5-12(6-4-10)17(14,15)13-11-7-8-16-9-11/h3-6,11,13H,2,7-9H2,1H3.
What are the key properties of 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide?
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 110868831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).