3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine

C13H17F2NO3S — CID 64645449

IUPAC3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO3S/c1-2-16-11-5-6-19-8-13(11)20(17,18)12-4-3-9(14)7-10(12)15/h3-4,7,11,13,16H,2,5-6,8H2,1H3
InChIKeyBBAXLKWUWBQPCX-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.51
Rot. Bonds4

About 3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine

3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine (PubChem CID 64645449) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine
PubChem CID64645449
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO3S/c1-2-16-11-5-6-19-8-13(11)20(17,18)12-4-3-9(14)7-10(12)15/h3-4,7,11,13,16H,2,5-6,8H2,1H3
InChIKeyBBAXLKWUWBQPCX-UHFFFAOYSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine 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-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine (CID 64645449) is 3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine is CCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine?
The InChIKey is BBAXLKWUWBQPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-2-16-11-5-6-19-8-13(11)20(17,18)12-4-3-9(14)7-10(12)15/h3-4,7,11,13,16H,2,5-6,8H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine?
3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine has a molecular weight of 305.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfonyl-N-ethyloxan-4-amine is sourced from PubChem (CID 64645449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).