N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide

C7H9F2NO3S — CID 126773978

IUPACN-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1ccco1
InChIInChI=1S/C7H9F2NO3S/c1-10(5-6(8)9)14(11,12)7-3-2-4-13-7/h2-4,6H,5H2,1H3
InChIKeyCWQMNQCOEABVKI-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.17
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide

N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide (PubChem CID 126773978) has the molecular formula C7H9F2NO3S and a molecular weight of 225.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide
PubChem CID126773978
Molecular FormulaC7H9F2NO3S
Molecular Weight225.22 g/mol
Exact Mass225.03
IUPAC NameN-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1ccco1
InChIInChI=1S/C7H9F2NO3S/c1-10(5-6(8)9)14(11,12)7-3-2-4-13-7/h2-4,6H,5H2,1H3
InChIKeyCWQMNQCOEABVKI-UHFFFAOYSA-N
XLogP1.17
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide (CID 126773978) is N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide is CN(CC(F)F)S(=O)(=O)c1ccco1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide?
The InChIKey is CWQMNQCOEABVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO3S/c1-10(5-6(8)9)14(11,12)7-3-2-4-13-7/h2-4,6H,5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide?
N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide has a molecular weight of 225.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 126773978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).