N,N-dicyclohexyl-1,1-difluoromethanesulfonamide

C13H23F2NO2S — CID 58435940

IUPACN,N-dicyclohexyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(C(F)F)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H23F2NO2S/c14-13(15)19(17,18)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeyPOAVEKPKHRIFAG-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.51
Rot. Bonds4

About N,N-dicyclohexyl-1,1-difluoromethanesulfonamide

N,N-dicyclohexyl-1,1-difluoromethanesulfonamide (PubChem CID 58435940) has the molecular formula C13H23F2NO2S and a molecular weight of 295.39 g/mol. Its IUPAC name is N,N-dicyclohexyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1,1-difluoromethanesulfonamide
PubChem CID58435940
Molecular FormulaC13H23F2NO2S
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC NameN,N-dicyclohexyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(C(F)F)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H23F2NO2S/c14-13(15)19(17,18)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeyPOAVEKPKHRIFAG-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide
CID 23227871
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
Dicyclohexylsulfamoyl(difluoro)methanesulfonic acid
CID 88487529
N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
CID 88916706
N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
CID 126638189
N-cyclohexyl-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 153662757
N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
CID 80669304
1-(Cyclohexylsulfonyl)-2-(trifluoromethyl)piperidine
CID 92092645
N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide
CID 126766492
N-cyclohexyl-N-(2,2-difluoroethyl)ethenesulfonamide
CID 167879563

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N,N-dicyclohexyl-1,1-difluoromethanesulfonamide (CID 58435940) is N,N-dicyclohexyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N,N-dicyclohexyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N,N-dicyclohexyl-1,1-difluoromethanesulfonamide is O=S(=O)(C(F)F)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-1,1-difluoromethanesulfonamide?
The InChIKey is POAVEKPKHRIFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2S/c14-13(15)19(17,18)16(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-difluoromethanesulfonamide?
N,N-dicyclohexyl-1,1-difluoromethanesulfonamide has a molecular weight of 295.39 g/mol, XLogP of 3.51, 4 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-difluoromethanesulfonamide is sourced from PubChem (CID 58435940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).