N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide

C11H17F3N2O2S — CID 83059396

IUPACN-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H17F3N2O2S/c12-11(13,14)7-4-8-19(17,18)16-10(9-15)5-2-1-3-6-10/h16H,1-8H2
InChIKeyLYKMLDHBZIVMOJ-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.47
Rot. Bonds5

About N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059396) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059396
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC NameN-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H17F3N2O2S/c12-11(13,14)7-4-8-19(17,18)16-10(9-15)5-2-1-3-6-10/h16H,1-8H2
InChIKeyLYKMLDHBZIVMOJ-UHFFFAOYSA-N
XLogP2.47
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059396) is N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide is N#CC1(NS(=O)(=O)CCCC(F)(F)F)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is LYKMLDHBZIVMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c12-11(13,14)7-4-8-19(17,18)16-10(9-15)5-2-1-3-6-10/h16H,1-8H2.
What are the key properties of N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 298.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).