N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide

C15H23F6NO2S — CID 126638189

IUPACN,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
SMILESO=S(=O)(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H23F6NO2S/c16-13(17)14(18,19)15(20,21)25(23,24)22(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeyDDMIHMRWPRBPJE-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.78
Rot. Bonds6

About N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide

N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide (PubChem CID 126638189) has the molecular formula C15H23F6NO2S and a molecular weight of 395.41 g/mol. Its IUPAC name is N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
PubChem CID126638189
Molecular FormulaC15H23F6NO2S
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC NameN,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
SMILESO=S(=O)(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H23F6NO2S/c16-13(17)14(18,19)15(20,21)25(23,24)22(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeyDDMIHMRWPRBPJE-UHFFFAOYSA-N
XLogP4.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 21079915
Cyclohexyl(trimethyl)azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 21079918
Dicyclohexyl(dimethyl)azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 21079920
N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide
CID 23227871
N,N-dicyclohexyl-1,1-difluoromethanesulfonamide
CID 58435940
N,N-dicyclohexyl-1,1-difluoroethanesulfonamide
CID 58436010
N,N-dicyclohexyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58961921
N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58961922
Cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 87670450
Dicyclohexyl(dimethyl)azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 87848417
Dicyclohexylsulfamoyl(difluoro)methanesulfonic acid
CID 88487529
N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
CID 88916706

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The IUPAC name of N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide (CID 126638189) is N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide.
What is the SMILES notation for N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The canonical SMILES for N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide is O=S(=O)(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The InChIKey is DDMIHMRWPRBPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F6NO2S/c16-13(17)14(18,19)15(20,21)25(23,24)22(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2.
What are the key properties of N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide has a molecular weight of 395.41 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide is sourced from PubChem (CID 126638189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).