5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide

C8H12F2N2O3S — CID 115405595

IUPAC5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCC(F)F)o1
InChIInChI=1S/C8H12F2N2O3S/c1-11-16(13,14)8-3-2-6(15-8)4-12-5-7(9)10/h2-3,7,11-12H,4-5H2,1H3
InChIKeyNYFBWTSDYBYLOI-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.54
Rot. Bonds6

About 5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide

5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide (PubChem CID 115405595) has the molecular formula C8H12F2N2O3S and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
PubChem CID115405595
Molecular FormulaC8H12F2N2O3S
Molecular Weight254.26 g/mol
Exact Mass254.05
IUPAC Name5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCC(F)F)o1
InChIInChI=1S/C8H12F2N2O3S/c1-11-16(13,14)8-3-2-6(15-8)4-12-5-7(9)10/h2-3,7,11-12H,4-5H2,1H3
InChIKeyNYFBWTSDYBYLOI-UHFFFAOYSA-N
XLogP0.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154
5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 114331390
N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
CID 106220264
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 106124948
N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106425254
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
CID 83025121
5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide
CID 79055174
N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
CID 81351573
N-methyl-5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-2-sulfonamide
CID 106379707
N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106426080
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 81349730

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide (CID 115405595) is 5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(CNCC(F)F)o1.
What is the InChIKey of 5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide?
The InChIKey is NYFBWTSDYBYLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O3S/c1-11-16(13,14)8-3-2-6(15-8)4-12-5-7(9)10/h2-3,7,11-12H,4-5H2,1H3.
What are the key properties of 5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide?
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide has a molecular weight of 254.26 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 115405595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).