N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide

C5H11F2NO3S — CID 60956935

IUPACN-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCN(CCO)S(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO3S/c1-2-8(3-4-9)12(10,11)5(6)7/h5,9H,2-4H2,1H3
InChIKeyGKWGVZPVAQTHJG-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.15
Rot. Bonds5

About N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide

N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 60956935) has the molecular formula C5H11F2NO3S and a molecular weight of 203.21 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID60956935
Molecular FormulaC5H11F2NO3S
Molecular Weight203.21 g/mol
Exact Mass203.04
IUPAC NameN-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCN(CCO)S(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO3S/c1-2-8(3-4-9)12(10,11)5(6)7/h5,9H,2-4H2,1H3
InChIKeyGKWGVZPVAQTHJG-UHFFFAOYSA-N
XLogP-0.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide (CID 60956935) is N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide is CCN(CCO)S(=O)(=O)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is GKWGVZPVAQTHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO3S/c1-2-8(3-4-9)12(10,11)5(6)7/h5,9H,2-4H2,1H3.
What are the key properties of N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 203.21 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 60956935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).