1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide

C13H18FNO3S — CID 110736451

IUPAC1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC1CCOCC1
InChIInChI=1S/C13H18FNO3S/c14-13-3-1-12(2-4-13)10-19(16,17)15-9-11-5-7-18-8-6-11/h1-4,11,15H,5-10H2
InChIKeyQRLFOUIWTBCIIB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.67
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide

1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide (PubChem CID 110736451) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide
PubChem CID110736451
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC1CCOCC1
InChIInChI=1S/C13H18FNO3S/c14-13-3-1-12(2-4-13)10-19(16,17)15-9-11-5-7-18-8-6-11/h1-4,11,15H,5-10H2
InChIKeyQRLFOUIWTBCIIB-UHFFFAOYSA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide (CID 110736451) is 1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide?
The InChIKey is QRLFOUIWTBCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c14-13-3-1-12(2-4-13)10-19(16,17)15-9-11-5-7-18-8-6-11/h1-4,11,15H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(oxan-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110736451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).