N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

C12H19F3N2O2S — CID 83060110

IUPACN-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESN#CC(NS(=O)(=O)CCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H19F3N2O2S/c13-12(14,15)7-4-8-20(18,19)17-11(9-16)10-5-2-1-3-6-10/h10-11,17H,1-8H2
InChIKeyUZKJMPXOHBQEHP-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.72
Rot. Bonds6

About N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83060110) has the molecular formula C12H19F3N2O2S and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83060110
Molecular FormulaC12H19F3N2O2S
Molecular Weight312.36 g/mol
Exact Mass312.11
IUPAC NameN-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESN#CC(NS(=O)(=O)CCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H19F3N2O2S/c13-12(14,15)7-4-8-20(18,19)17-11(9-16)10-5-2-1-3-6-10/h10-11,17H,1-8H2
InChIKeyUZKJMPXOHBQEHP-UHFFFAOYSA-N
XLogP2.72
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide 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 N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83060110) is N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is N#CC(NS(=O)(=O)CCCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is UZKJMPXOHBQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2S/c13-12(14,15)7-4-8-20(18,19)17-11(9-16)10-5-2-1-3-6-10/h10-11,17H,1-8H2.
What are the key properties of N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 312.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83060110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).