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

C8H10F7NO2S — CID 129294963

IUPACN-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESO=S(=O)(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO2S/c9-6(10,7(11,12)13)8(14,15)19(17,18)16-5-3-1-2-4-5/h5,16H,1-4H2
InChIKeyDPXFHXNHBCGVGS-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.64
Rot. Bonds4

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

N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (PubChem CID 129294963) has the molecular formula C8H10F7NO2S and a molecular weight of 317.23 g/mol. Its IUPAC name is N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
PubChem CID129294963
Molecular FormulaC8H10F7NO2S
Molecular Weight317.23 g/mol
Exact Mass317.03
IUPAC NameN-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESO=S(=O)(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO2S/c9-6(10,7(11,12)13)8(14,15)19(17,18)16-5-3-1-2-4-5/h5,16H,1-4H2
InChIKeyDPXFHXNHBCGVGS-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.64
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-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The IUPAC name of N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (CID 129294963) is N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The canonical SMILES for N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is O=S(=O)(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The InChIKey is DPXFHXNHBCGVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7NO2S/c9-6(10,7(11,12)13)8(14,15)19(17,18)16-5-3-1-2-4-5/h5,16H,1-4H2.
What are the key properties of N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide has a molecular weight of 317.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is sourced from PubChem (CID 129294963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).