3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide

C12H16ClNO3S — CID 71649235

IUPAC3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide
SMILESNS(=O)(=O)C1CCOCC1Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO3S/c13-11-4-2-1-3-9(11)7-10-8-17-6-5-12(10)18(14,15)16/h1-4,10,12H,5-8H2,(H2,14,15,16)
InChIKeyXOELSYKILQHFJD-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.58
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide

3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide (PubChem CID 71649235) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide
PubChem CID71649235
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide
SMILESNS(=O)(=O)C1CCOCC1Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO3S/c13-11-4-2-1-3-9(11)7-10-8-17-6-5-12(10)18(14,15)16/h1-4,10,12H,5-8H2,(H2,14,15,16)
InChIKeyXOELSYKILQHFJD-UHFFFAOYSA-N
XLogP1.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide 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 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide?
The IUPAC name of 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide (CID 71649235) is 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide is NS(=O)(=O)C1CCOCC1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide?
The InChIKey is XOELSYKILQHFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c13-11-4-2-1-3-9(11)7-10-8-17-6-5-12(10)18(14,15)16/h1-4,10,12H,5-8H2,(H2,14,15,16).
What are the key properties of 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide?
3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide has a molecular weight of 289.78 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 71649235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).