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

C9H10F9NO2S — CID 129294972

IUPACN-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2S/c10-6(11,8(14,15)16)7(12,13)9(17,18)22(20,21)19-5-3-1-2-4-5/h5,19H,1-4H2
InChIKeyGHSAAULZBJRIPM-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.27
Rot. Bonds5

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

N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 129294972) has the molecular formula C9H10F9NO2S and a molecular weight of 367.23 g/mol. Its IUPAC name is N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID129294972
Molecular FormulaC9H10F9NO2S
Molecular Weight367.23 g/mol
Exact Mass367.03
IUPAC NameN-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2S/c10-6(11,8(14,15)16)7(12,13)9(17,18)22(20,21)19-5-3-1-2-4-5/h5,19H,1-4H2
InChIKeyGHSAAULZBJRIPM-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 129294972) is N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is O=S(=O)(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is GHSAAULZBJRIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO2S/c10-6(11,8(14,15)16)7(12,13)9(17,18)22(20,21)19-5-3-1-2-4-5/h5,19H,1-4H2.
What are the key properties of N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 367.23 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 129294972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).