N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide

C7H13F2NO3S — CID 107483514

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO3S/c1-2-5-14(12,13)10(3-4-11)6-7(8)9/h2,7,11H,1,3-6H2
InChIKeySGRRSKFQBYTKLK-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.06
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide (PubChem CID 107483514) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
PubChem CID107483514
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO3S/c1-2-5-14(12,13)10(3-4-11)6-7(8)9/h2,7,11H,1,3-6H2
InChIKeySGRRSKFQBYTKLK-UHFFFAOYSA-N
XLogP0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 64584573
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 64584768
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 107483546
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 107483589
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-ene-1-sulfonamide
CID 107483709
3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpropane-1-sulfonamide
CID 112407884
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutane-1-sulfonamide
CID 113356071
1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
CID 115754602
1,1,1-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
CID 116301175
Fluoroform;2-[2-hydroxyethyl(methyl)amino]ethanol;prop-2-ene-1-sulfonic acid
CID 174952968
N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
CID 79672794
N-(2-hydroxyethyl)-N-methylprop-2-ene-1-sulfonamide
CID 79672795

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide (CID 107483514) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide?
The InChIKey is SGRRSKFQBYTKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c1-2-5-14(12,13)10(3-4-11)6-7(8)9/h2,7,11H,1,3-6H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide has a molecular weight of 229.25 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 107483514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).