N-(2,2-difluoroethyl)methanesulfonamide

C3H7F2NO2S — CID 79090744

IUPACN-(2,2-difluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(F)F
InChIInChI=1S/C3H7F2NO2S/c1-9(7,8)6-2-3(4)5/h3,6H,2H2,1H3
InChIKeyIZECHJPTIRMVIE-UHFFFAOYSA-N
MW159.16 g/mol
LogP-0.20
Rot. Bonds3

About N-(2,2-difluoroethyl)methanesulfonamide

N-(2,2-difluoroethyl)methanesulfonamide (PubChem CID 79090744) has the molecular formula C3H7F2NO2S and a molecular weight of 159.16 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)methanesulfonamide
PubChem CID79090744
Molecular FormulaC3H7F2NO2S
Molecular Weight159.16 g/mol
Exact Mass159.02
IUPAC NameN-(2,2-difluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(F)F
InChIInChI=1S/C3H7F2NO2S/c1-9(7,8)6-2-3(4)5/h3,6H,2H2,1H3
InChIKeyIZECHJPTIRMVIE-UHFFFAOYSA-N
XLogP-0.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)methanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)methanesulfonamide (CID 79090744) is N-(2,2-difluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)methanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)methanesulfonamide is CS(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)methanesulfonamide?
The InChIKey is IZECHJPTIRMVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO2S/c1-9(7,8)6-2-3(4)5/h3,6H,2H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)methanesulfonamide?
N-(2,2-difluoroethyl)methanesulfonamide has a molecular weight of 159.16 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)methanesulfonamide is sourced from PubChem (CID 79090744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).