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

C10H15F6NO2S — CID 149295136

IUPACN-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C10H15F6NO2S/c1-8(11,12)9(13,14)10(15,16)20(18,19)17-7-5-3-2-4-6-7/h7,17H,2-6H2,1H3
InChIKeyXVQDJRIGUFUNGQ-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.12
Rot. Bonds5

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

N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide (PubChem CID 149295136) has the molecular formula C10H15F6NO2S and a molecular weight of 327.29 g/mol. Its IUPAC name is N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
PubChem CID149295136
Molecular FormulaC10H15F6NO2S
Molecular Weight327.29 g/mol
Exact Mass327.07
IUPAC NameN-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C10H15F6NO2S/c1-8(11,12)9(13,14)10(15,16)20(18,19)17-7-5-3-2-4-6-7/h7,17H,2-6H2,1H3
InChIKeyXVQDJRIGUFUNGQ-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.12
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

N-Hexylperfluorobutanesulfonamide
CID 85868528
N-Hexyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 22352711
N-Cyclohexyltrifluoromethanesulfonamide
CID 14965464
Propyl perfluorohexane sulfonamide
CID 19931112
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
1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1-methylethyl)-
CID 159195
N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide
CID 19931111
N-[(1S,2S)-2-aminocyclohexyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 88155364

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide (CID 149295136) is N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
The InChIKey is XVQDJRIGUFUNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO2S/c1-8(11,12)9(13,14)10(15,16)20(18,19)17-7-5-3-2-4-6-7/h7,17H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide has a molecular weight of 327.29 g/mol, XLogP of 3.12, 5 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-hexafluorobutane-1-sulfonamide is sourced from PubChem (CID 149295136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).