N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide

C7H14ClF2NO2S — CID 107492866

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCCl)CC(F)F
InChIInChI=1S/C7H14ClF2NO2S/c1-6(2)14(12,13)11(4-3-8)5-7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyABYYBARBLKYKQA-UHFFFAOYSA-N
MW249.71 g/mol
LogP1.53
Rot. Bonds6

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide (PubChem CID 107492866) has the molecular formula C7H14ClF2NO2S and a molecular weight of 249.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide
PubChem CID107492866
Molecular FormulaC7H14ClF2NO2S
Molecular Weight249.71 g/mol
Exact Mass249.04
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCCl)CC(F)F
InChIInChI=1S/C7H14ClF2NO2S/c1-6(2)14(12,13)11(4-3-8)5-7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyABYYBARBLKYKQA-UHFFFAOYSA-N
XLogP1.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 51.53
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)propane-2-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide (CID 107492866) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide?
The InChIKey is ABYYBARBLKYKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClF2NO2S/c1-6(2)14(12,13)11(4-3-8)5-7(9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide has a molecular weight of 249.71 g/mol, XLogP of 1.53, 6 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)propane-2-sulfonamide is sourced from PubChem (CID 107492866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).