2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile

C14H16FNO2S — CID 107909308

IUPAC2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H16FNO2S/c15-13-7-6-11(9-16)12(8-13)10-19(17,18)14-4-2-1-3-5-14/h6-8,14H,1-5,10H2
InChIKeyGFDHSLMDXCTGOV-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.94
Rot. Bonds3

About 2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile

2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile (PubChem CID 107909308) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile
PubChem CID107909308
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H16FNO2S/c15-13-7-6-11(9-16)12(8-13)10-19(17,18)14-4-2-1-3-5-14/h6-8,14H,1-5,10H2
InChIKeyGFDHSLMDXCTGOV-UHFFFAOYSA-N
XLogP2.94
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760538
2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
CID 107903846
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
2-(piperidin-4-ylsulfonylmethyl)benzonitrile
CID 82181326
2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile
CID 114014532
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
2-(2-aminobutylsulfonylmethyl)-4-fluorobenzonitrile
CID 114014876
2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile
CID 135144381
[3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine
CID 64696603
1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 64770279
[1-[(2-cyano-5-fluorophenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 86770943

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile?
The IUPAC name of 2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile (CID 107909308) is 2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile.
What is the SMILES notation for 2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile?
The canonical SMILES for 2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile is N#Cc1ccc(F)cc1CS(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile?
The InChIKey is GFDHSLMDXCTGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c15-13-7-6-11(9-16)12(8-13)10-19(17,18)14-4-2-1-3-5-14/h6-8,14H,1-5,10H2.
What are the key properties of 2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile?
2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile has a molecular weight of 281.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile is sourced from PubChem (CID 107909308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).