N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide

C8H16ClF2NO2S — CID 107492797

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCCl)CC(F)F
InChIInChI=1S/C8H16ClF2NO2S/c1-2-3-6-15(13,14)12(5-4-9)7-8(10)11/h8H,2-7H2,1H3
InChIKeyIBBFTKMNAUMTDV-UHFFFAOYSA-N
MW263.74 g/mol
LogP1.92
Rot. Bonds8

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide (PubChem CID 107492797) has the molecular formula C8H16ClF2NO2S and a molecular weight of 263.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide
PubChem CID107492797
Molecular FormulaC8H16ClF2NO2S
Molecular Weight263.74 g/mol
Exact Mass263.06
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCCl)CC(F)F
InChIInChI=1S/C8H16ClF2NO2S/c1-2-3-6-15(13,14)12(5-4-9)7-8(10)11/h8H,2-7H2,1H3
InChIKeyIBBFTKMNAUMTDV-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide (CID 107492797) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide?
The InChIKey is IBBFTKMNAUMTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClF2NO2S/c1-2-3-6-15(13,14)12(5-4-9)7-8(10)11/h8H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide has a molecular weight of 263.74 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide is sourced from PubChem (CID 107492797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).