N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide

C7H12F5NO2S — CID 123332030

IUPACN-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide
SMILESCCCCNS(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C7H12F5NO2S/c1-2-3-4-13-16(14,15)7(11,12)6(9,10)5-8/h13H,2-5H2,1H3
InChIKeyJDOZILXHFDOETQ-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.90
Rot. Bonds7

About N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide

N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide (PubChem CID 123332030) has the molecular formula C7H12F5NO2S and a molecular weight of 269.23 g/mol. Its IUPAC name is N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide
PubChem CID123332030
Molecular FormulaC7H12F5NO2S
Molecular Weight269.23 g/mol
Exact Mass269.05
IUPAC NameN-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide
SMILESCCCCNS(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C7H12F5NO2S/c1-2-3-4-13-16(14,15)7(11,12)6(9,10)5-8/h13H,2-5H2,1H3
InChIKeyJDOZILXHFDOETQ-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.90
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-pentafluoropropane-1-sulfonamide?
The IUPAC name of N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide (CID 123332030) is N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide.
What is the SMILES notation for N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide?
The canonical SMILES for N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide is CCCCNS(=O)(=O)C(F)(F)C(F)(F)CF.
What is the InChIKey of N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide?
The InChIKey is JDOZILXHFDOETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F5NO2S/c1-2-3-4-13-16(14,15)7(11,12)6(9,10)5-8/h13H,2-5H2,1H3.
What are the key properties of N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide?
N-butyl-1,1,2,2,3-pentafluoropropane-1-sulfonamide has a molecular weight of 269.23 g/mol, XLogP of 1.90, 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-pentafluoropropane-1-sulfonamide is sourced from PubChem (CID 123332030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).