1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide

C14H20FNO3S — CID 122567180

IUPAC1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCC1CCCOC1
InChIInChI=1S/C14H20FNO3S/c15-14-5-3-13(4-6-14)11-20(17,18)16-8-7-12-2-1-9-19-10-12/h3-6,12,16H,1-2,7-11H2
InChIKeyFNHOOOZYELBHIF-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.06
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide (PubChem CID 122567180) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide
PubChem CID122567180
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCC1CCCOC1
InChIInChI=1S/C14H20FNO3S/c15-14-5-3-13(4-6-14)11-20(17,18)16-8-7-12-2-1-9-19-10-12/h3-6,12,16H,1-2,7-11H2
InChIKeyFNHOOOZYELBHIF-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide 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 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide (CID 122567180) is 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCCC1CCCOC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide?
The InChIKey is FNHOOOZYELBHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c15-14-5-3-13(4-6-14)11-20(17,18)16-8-7-12-2-1-9-19-10-12/h3-6,12,16H,1-2,7-11H2.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(oxan-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 122567180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).