N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide

C13H22F3NO3S — CID 90554931

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C13H22F3NO3S/c14-13(15,16)10-17(11-6-8-20-9-7-11)21(18,19)12-4-2-1-3-5-12/h11-12H,1-10H2
InChIKeyJBVZIUMMWSCLDI-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.69
Rot. Bonds4

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide (PubChem CID 90554931) has the molecular formula C13H22F3NO3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide
PubChem CID90554931
Molecular FormulaC13H22F3NO3S
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C13H22F3NO3S/c14-13(15,16)10-17(11-6-8-20-9-7-11)21(18,19)12-4-2-1-3-5-12/h11-12H,1-10H2
InChIKeyJBVZIUMMWSCLDI-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide (CID 90554931) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide is O=S(=O)(C1CCCCC1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide?
The InChIKey is JBVZIUMMWSCLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3S/c14-13(15,16)10-17(11-6-8-20-9-7-11)21(18,19)12-4-2-1-3-5-12/h11-12H,1-10H2.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide is sourced from PubChem (CID 90554931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).