3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide

C8H15ClF3NO2S — CID 115521754

IUPAC3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCCCC(F)(F)F
InChIInChI=1S/C8H15ClF3NO2S/c9-5-3-7-16(14,15)13-6-2-1-4-8(10,11)12/h13H,1-7H2
InChIKeyLXLBKQVHJJNLFB-UHFFFAOYSA-N
MW281.73 g/mol
LogP2.27
Rot. Bonds8

About 3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide

3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide (PubChem CID 115521754) has the molecular formula C8H15ClF3NO2S and a molecular weight of 281.73 g/mol. Its IUPAC name is 3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide
PubChem CID115521754
Molecular FormulaC8H15ClF3NO2S
Molecular Weight281.73 g/mol
Exact Mass281.05
IUPAC Name3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCCCC(F)(F)F
InChIInChI=1S/C8H15ClF3NO2S/c9-5-3-7-16(14,15)13-6-2-1-4-8(10,11)12/h13H,1-7H2
InChIKeyLXLBKQVHJJNLFB-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide (CID 115521754) is 3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide is O=S(=O)(CCCCl)NCCCCC(F)(F)F.
What is the InChIKey of 3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide?
The InChIKey is LXLBKQVHJJNLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF3NO2S/c9-5-3-7-16(14,15)13-6-2-1-4-8(10,11)12/h13H,1-7H2.
What are the key properties of 3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide?
3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide has a molecular weight of 281.73 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5,5,5-trifluoropentyl)propane-1-sulfonamide is sourced from PubChem (CID 115521754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).