N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide

C9H12F7NO2S — CID 129294965

IUPACN-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F7NO2S/c10-7(11,8(12,13)14)9(15,16)20(18,19)17-6-4-2-1-3-5-6/h6,17H,1-5H2
InChIKeyLDOBOJDRBRCWPB-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.03
Rot. Bonds4

About N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide

N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (PubChem CID 129294965) has the molecular formula C9H12F7NO2S and a molecular weight of 331.25 g/mol. Its IUPAC name is N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
PubChem CID129294965
Molecular FormulaC9H12F7NO2S
Molecular Weight331.25 g/mol
Exact Mass331.05
IUPAC NameN-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F7NO2S/c10-7(11,8(12,13)14)9(15,16)20(18,19)17-6-4-2-1-3-5-6/h6,17H,1-5H2
InChIKeyLDOBOJDRBRCWPB-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-trans-N,N'-1,2-Cyclohexanediylbis(1,1,1-trifluoromethanesulfonamide)
CID 11090167
N-Hexylperfluorobutanesulfonamide
CID 85868528
N-Cyclooctyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 102225000
(1S)-1alpha,2beta-Bis(trifluoromethylsulfonylamino)cyclohexane
CID 11025250
N-Cyclohexyltrifluoromethanesulfonamide
CID 14965464
N-Cyclohexyl-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide
CID 23462806
N-(4,4-difluorocyclohexyl)methanesulfonamide
CID 57747898
N-cyclohexyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 21418863
N-(4,4-difluorocyclohexyl)cyclopropanesulfonamide
CID 121021911
N-cyclohexyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinamide
CID 21731587
N-cyclohexyl-3-fluoropropane-1-sulfonamide
CID 129397177
Methanesulfonamide,N,N'-(1R,2R)-1,2-cyclohexanediylbis[1,1,1-trifluoro-
CID 4437229

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (CID 129294965) is N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is O=S(=O)(NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The InChIKey is LDOBOJDRBRCWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F7NO2S/c10-7(11,8(12,13)14)9(15,16)20(18,19)17-6-4-2-1-3-5-6/h6,17H,1-5H2.
What are the key properties of N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide has a molecular weight of 331.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is sourced from PubChem (CID 129294965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).