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

C16H25F6NO2S — CID 88916706

IUPACN,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H25F6NO2S/c1-14(17,18)15(19,20)16(21,22)26(24,25)23(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
InChIKeyKWIGWRPTIWEBBD-UHFFFAOYSA-N
MW409.44 g/mol
LogP5.17
Rot. Bonds6

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

N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide (PubChem CID 88916706) has the molecular formula C16H25F6NO2S and a molecular weight of 409.44 g/mol. Its IUPAC name is N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
PubChem CID88916706
Molecular FormulaC16H25F6NO2S
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC NameN,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H25F6NO2S/c1-14(17,18)15(19,20)16(21,22)26(24,25)23(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
InChIKeyKWIGWRPTIWEBBD-UHFFFAOYSA-N
XLogP5.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.44
LogP ≤ 55.17
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

N,N-dicyclohexyl-2-methylpropane-2-sulfonamide
CID 10542350
Cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 21079915
Cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 21079917
Cyclohexyl(trimethyl)azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 21079918
Cyclohexyl(trimethyl)azanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 21079919
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
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
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)-2,6-dimethylpiperidine
CID 88916720

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
The IUPAC name of N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide (CID 88916706) is N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide.
What is the SMILES notation for N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
The canonical SMILES for N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
The InChIKey is KWIGWRPTIWEBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F6NO2S/c1-14(17,18)15(19,20)16(21,22)26(24,25)23(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3.
What are the key properties of N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
N,N-dicyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide has a molecular weight of 409.44 g/mol, XLogP of 5.17, 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-hexafluorobutane-1-sulfonamide is sourced from PubChem (CID 88916706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).