3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide

C7H14ClF2NO3S — CID 107483903

IUPAC3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N(CCO)CC(F)F
InChIInChI=1S/C7H14ClF2NO3S/c8-2-1-5-15(13,14)11(3-4-12)6-7(9)10/h7,12H,1-6H2
InChIKeyWKLPJTLOICZPDE-UHFFFAOYSA-N
MW265.71 g/mol
LogP0.50
Rot. Bonds8

About 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide

3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide (PubChem CID 107483903) has the molecular formula C7H14ClF2NO3S and a molecular weight of 265.71 g/mol. Its IUPAC name is 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide
PubChem CID107483903
Molecular FormulaC7H14ClF2NO3S
Molecular Weight265.71 g/mol
Exact Mass265.04
IUPAC Name3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N(CCO)CC(F)F
InChIInChI=1S/C7H14ClF2NO3S/c8-2-1-5-15(13,14)11(3-4-12)6-7(9)10/h7,12H,1-6H2
InChIKeyWKLPJTLOICZPDE-UHFFFAOYSA-N
XLogP0.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide (CID 107483903) is 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide is O=S(=O)(CCCCl)N(CCO)CC(F)F.
What is the InChIKey of 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide?
The InChIKey is WKLPJTLOICZPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClF2NO3S/c8-2-1-5-15(13,14)11(3-4-12)6-7(9)10/h7,12H,1-6H2.
What are the key properties of 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide?
3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide has a molecular weight of 265.71 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 107483903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).