N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C8H10F9NO2S — CID 86068657

IUPACN-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9NO2S/c1-2-3-4-18-21(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h18H,2-4H2,1H3
InChIKeyVTHLFEHATZVBSK-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.13
Rot. Bonds7

About N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 86068657) has the molecular formula C8H10F9NO2S and a molecular weight of 355.22 g/mol. Its IUPAC name is N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID86068657
Molecular FormulaC8H10F9NO2S
Molecular Weight355.22 g/mol
Exact Mass355.03
IUPAC NameN-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9NO2S/c1-2-3-4-18-21(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h18H,2-4H2,1H3
InChIKeyVTHLFEHATZVBSK-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 86068657) is N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is CCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is VTHLFEHATZVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F9NO2S/c1-2-3-4-18-21(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h18H,2-4H2,1H3.
What are the key properties of N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 355.22 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 86068657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).