3,3-difluorobutane-1-sulfonamide

C4H9F2NO2S — CID 130657266

IUPAC3,3-difluorobutane-1-sulfonamide
SMILESCC(F)(F)CCS(N)(=O)=O
InChIInChI=1S/C4H9F2NO2S/c1-4(5,6)2-3-10(7,8)9/h2-3H2,1H3,(H2,7,8,9)
InChIKeyQLXUDXZGKDHONH-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.32
Rot. Bonds3

About 3,3-difluorobutane-1-sulfonamide

3,3-difluorobutane-1-sulfonamide (PubChem CID 130657266) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is 3,3-difluorobutane-1-sulfonamide.

Molecular Properties

Compound Name3,3-difluorobutane-1-sulfonamide
PubChem CID130657266
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC Name3,3-difluorobutane-1-sulfonamide
SMILESCC(F)(F)CCS(N)(=O)=O
InChIInChI=1S/C4H9F2NO2S/c1-4(5,6)2-3-10(7,8)9/h2-3H2,1H3,(H2,7,8,9)
InChIKeyQLXUDXZGKDHONH-UHFFFAOYSA-N
XLogP0.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butanesulfonamide
CID 18460
2,2,2-Trifluoroethane-1-sulfonamide
CID 21265546
3,3,3-Trifluoropropane-1-sulfonamide
CID 45790444
Butane-2-sulfonamide
CID 20482438
4,4,4-Trifluorobutane-1-sulfonamide
CID 22725686
2,2-Difluoroethane-1-sulfonamide
CID 50989787
3-Fluoro-1-propanesulfonamide
CID 53404000
4-Fluorobutane-1-sulfonamide
CID 53964049
3,3,3-trifluoro-N-methylpropane-1-sulfonamide
CID 88571719
5-Fluoropentane-1-sulfonamide
CID 90989561
3,3-Difluorocyclobutane-1-sulfonamide
CID 126756816
Fluorobutane sulfonamide
CID 87704648

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorobutane-1-sulfonamide?
The IUPAC name of 3,3-difluorobutane-1-sulfonamide (CID 130657266) is 3,3-difluorobutane-1-sulfonamide.
What is the SMILES notation for 3,3-difluorobutane-1-sulfonamide?
The canonical SMILES for 3,3-difluorobutane-1-sulfonamide is CC(F)(F)CCS(N)(=O)=O.
What is the InChIKey of 3,3-difluorobutane-1-sulfonamide?
The InChIKey is QLXUDXZGKDHONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-4(5,6)2-3-10(7,8)9/h2-3H2,1H3,(H2,7,8,9).
What are the key properties of 3,3-difluorobutane-1-sulfonamide?
3,3-difluorobutane-1-sulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorobutane-1-sulfonamide is sourced from PubChem (CID 130657266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).