1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide

C9H9FN2O2S — CID 55207867

IUPAC1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C9H9FN2O2S/c10-9-3-1-8(2-4-9)7-12-15(13,14)6-5-11/h1-4,12H,6-7H2
InChIKeyQPISSNRRDYKYCK-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.77
Rot. Bonds4

About 1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide

1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide (PubChem CID 55207867) has the molecular formula C9H9FN2O2S and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide
PubChem CID55207867
Molecular FormulaC9H9FN2O2S
Molecular Weight228.25 g/mol
Exact Mass228.04
IUPAC Name1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C9H9FN2O2S/c10-9-3-1-8(2-4-9)7-12-15(13,14)6-5-11/h1-4,12H,6-7H2
InChIKeyQPISSNRRDYKYCK-UHFFFAOYSA-N
XLogP0.77
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-[(4-fluorophenyl)methyl]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-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide (CID 55207867) is 1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide is N#CCS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is QPISSNRRDYKYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2S/c10-9-3-1-8(2-4-9)7-12-15(13,14)6-5-11/h1-4,12H,6-7H2.
What are the key properties of 1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide?
1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 228.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 55207867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).