2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide

C7H13ClF3NO2S — CID 107652258

IUPAC2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCCCCC(F)(F)F
InChIInChI=1S/C7H13ClF3NO2S/c8-4-6-15(13,14)12-5-2-1-3-7(9,10)11/h12H,1-6H2
InChIKeyGANRDRKRUVMONN-UHFFFAOYSA-N
MW267.70 g/mol
LogP1.88
Rot. Bonds7

About 2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide

2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide (PubChem CID 107652258) has the molecular formula C7H13ClF3NO2S and a molecular weight of 267.70 g/mol. Its IUPAC name is 2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide
PubChem CID107652258
Molecular FormulaC7H13ClF3NO2S
Molecular Weight267.70 g/mol
Exact Mass267.03
IUPAC Name2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCCCCC(F)(F)F
InChIInChI=1S/C7H13ClF3NO2S/c8-4-6-15(13,14)12-5-2-1-3-7(9,10)11/h12H,1-6H2
InChIKeyGANRDRKRUVMONN-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 51.88
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 2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide (CID 107652258) is 2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide is O=S(=O)(CCCl)NCCCCC(F)(F)F.
What is the InChIKey of 2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide?
The InChIKey is GANRDRKRUVMONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF3NO2S/c8-4-6-15(13,14)12-5-2-1-3-7(9,10)11/h12H,1-6H2.
What are the key properties of 2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide?
2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide has a molecular weight of 267.70 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5,5,5-trifluoropentyl)ethanesulfonamide is sourced from PubChem (CID 107652258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).