N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide

C13H22F3NO2S — CID 23227871

IUPACN,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N(C1CCCCC1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H22F3NO2S/c14-13(15,16)20(18,19)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyDIZMOZUZIDOZSR-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.80
Rot. Bonds3

About N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide

N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 23227871) has the molecular formula C13H22F3NO2S and a molecular weight of 313.39 g/mol. Its IUPAC name is N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide
PubChem CID23227871
Molecular FormulaC13H22F3NO2S
Molecular Weight313.39 g/mol
Exact Mass313.13
IUPAC NameN,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N(C1CCCCC1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H22F3NO2S/c14-13(15,16)20(18,19)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyDIZMOZUZIDOZSR-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide (CID 23227871) is N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide is O=S(=O)(N(C1CCCCC1)C1CCCCC1)C(F)(F)F.
What is the InChIKey of N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DIZMOZUZIDOZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2S/c14-13(15,16)20(18,19)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide?
N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 313.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 23227871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).