2,2-difluoroethanesulfonamide

C2H5F2NO2S — CID 50989787

IUPAC2,2-difluoroethanesulfonamide
SMILESNS(=O)(=O)CC(F)F
InChIInChI=1S/C2H5F2NO2S/c3-2(4)1-8(5,6)7/h2H,1H2,(H2,5,6,7)
InChIKeyZXBOMSJOUZHDTP-UHFFFAOYSA-N
MW145.13 g/mol
LogP-0.46
Rot. Bonds2

About 2,2-difluoroethanesulfonamide

2,2-difluoroethanesulfonamide (PubChem CID 50989787) has the molecular formula C2H5F2NO2S and a molecular weight of 145.13 g/mol. Its IUPAC name is 2,2-difluoroethanesulfonamide.

Molecular Properties

Compound Name2,2-difluoroethanesulfonamide
PubChem CID50989787
Molecular FormulaC2H5F2NO2S
Molecular Weight145.13 g/mol
Exact Mass145.00
IUPAC Name2,2-difluoroethanesulfonamide
SMILESNS(=O)(=O)CC(F)F
InChIInChI=1S/C2H5F2NO2S/c3-2(4)1-8(5,6)7/h2H,1H2,(H2,5,6,7)
InChIKeyZXBOMSJOUZHDTP-UHFFFAOYSA-N
XLogP-0.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoroethane-1-sulfonamide
CID 21265546
3,3,3-Trifluoropropane-1-sulfonamide
CID 45790444
4,4,4-Trifluorobutane-1-sulfonamide
CID 22725686
1,1-Difluoroethane-1-sulfonamide
CID 57536606
3,3-Difluorocyclobutane-1-sulfonamide
CID 126756816
1,2,2,2-Tetrafluoroethane-1-sulfonamide
CID 87668762
2,2,2-Trifluoroethanesulfonimidic acid
CID 88456998
1,1,1-Trifluoropropane-2-sulfonamide
CID 71758664
3,3-Difluorobutane-1-sulfonamide
CID 130657266
1,1,1,3,3,3-Hexafluoropropane-2-sulfonamide
CID 165867610
N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
2,3-Difluorocyclopropane-1-sulfonamide
CID 18457682

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethanesulfonamide?
The IUPAC name of 2,2-difluoroethanesulfonamide (CID 50989787) is 2,2-difluoroethanesulfonamide.
What is the SMILES notation for 2,2-difluoroethanesulfonamide?
The canonical SMILES for 2,2-difluoroethanesulfonamide is NS(=O)(=O)CC(F)F.
What is the InChIKey of 2,2-difluoroethanesulfonamide?
The InChIKey is ZXBOMSJOUZHDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2NO2S/c3-2(4)1-8(5,6)7/h2H,1H2,(H2,5,6,7).
What are the key properties of 2,2-difluoroethanesulfonamide?
2,2-difluoroethanesulfonamide has a molecular weight of 145.13 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethanesulfonamide is sourced from PubChem (CID 50989787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).