N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide

C15H19FN2O2S — CID 86816584

IUPACN-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide
SMILESCC1CCCC(C#N)(NS(=O)(=O)Cc2ccccc2F)C1
InChIInChI=1S/C15H19FN2O2S/c1-12-5-4-8-15(9-12,11-17)18-21(19,20)10-13-6-2-3-7-14(13)16/h2-3,6-7,12,18H,4-5,8-10H2,1H3
InChIKeyBQVJGWGXALJGSH-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.72
Rot. Bonds4

About N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide

N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 86816584) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide
PubChem CID86816584
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC NameN-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide
SMILESCC1CCCC(C#N)(NS(=O)(=O)Cc2ccccc2F)C1
InChIInChI=1S/C15H19FN2O2S/c1-12-5-4-8-15(9-12,11-17)18-21(19,20)10-13-6-2-3-7-14(13)16/h2-3,6-7,12,18H,4-5,8-10H2,1H3
InChIKeyBQVJGWGXALJGSH-UHFFFAOYSA-N
XLogP2.72
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide (CID 86816584) is N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide is CC1CCCC(C#N)(NS(=O)(=O)Cc2ccccc2F)C1.
What is the InChIKey of N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is BQVJGWGXALJGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-12-5-4-8-15(9-12,11-17)18-21(19,20)10-13-6-2-3-7-14(13)16/h2-3,6-7,12,18H,4-5,8-10H2,1H3.
What are the key properties of N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide?
N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 310.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-3-methylcyclohexyl)-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 86816584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).