2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile

C10H11FN2OS — CID 112540646

IUPAC2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile
SMILESCN=S(=O)(CC#N)Cc1ccc(F)cc1
InChIInChI=1S/C10H11FN2OS/c1-13-15(14,7-6-12)8-9-2-4-10(11)5-3-9/h2-5H,7-8H2,1H3
InChIKeyGSMKSDVKVWEVGJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.95
Rot. Bonds3

About 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile

2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile (PubChem CID 112540646) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile.

Molecular Properties

Compound Name2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile
PubChem CID112540646
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile
SMILESCN=S(=O)(CC#N)Cc1ccc(F)cc1
InChIInChI=1S/C10H11FN2OS/c1-13-15(14,7-6-12)8-9-2-4-10(11)5-3-9/h2-5H,7-8H2,1H3
InChIKeyGSMKSDVKVWEVGJ-UHFFFAOYSA-N
XLogP1.95
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[S-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)sulfonimidoyl]acetonitrile
CID 112540650
2-[S-[(3-chlorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile
CID 112540664
(4-fluorophenyl)methanesulfonamide
CID 16785078
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599
2-[4-(4-fluoroanilino)phenyl]acetonitrile
CID 82537219
(Z)-2-[(4-fluorophenyl)methylsulfonyl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
CID 87630214
(E)-2-[(4-fluorophenyl)methylsulfonyl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
CID 25052713
2-[(4-fluorophenyl)methylsulfonyl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
CID 74421258
potassium;(4-fluorophenyl)methanesulfonamide;hydride
CID 175451453
(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 151287541
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669

Frequently Asked Questions

What is the IUPAC name of 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile?
The IUPAC name of 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile (CID 112540646) is 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile.
What is the SMILES notation for 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile?
The canonical SMILES for 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile is CN=S(=O)(CC#N)Cc1ccc(F)cc1.
What is the InChIKey of 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile?
The InChIKey is GSMKSDVKVWEVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c1-13-15(14,7-6-12)8-9-2-4-10(11)5-3-9/h2-5H,7-8H2,1H3.
What are the key properties of 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile?
2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile has a molecular weight of 226.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[S-[(4-fluorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile is sourced from PubChem (CID 112540646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).