1-fluorobutane-1-sulfonamide

C4H10FNO2S — CID 87704648

IUPAC1-fluorobutane-1-sulfonamide
SMILESCCCC(F)S(N)(=O)=O
InChIInChI=1S/C4H10FNO2S/c1-2-3-4(5)9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyUWHLNQFFMIRGED-UHFFFAOYSA-N
MW155.19 g/mol
LogP0.37
Rot. Bonds3

About 1-fluorobutane-1-sulfonamide

1-fluorobutane-1-sulfonamide (PubChem CID 87704648) has the molecular formula C4H10FNO2S and a molecular weight of 155.19 g/mol. Its IUPAC name is 1-fluorobutane-1-sulfonamide.

Molecular Properties

Compound Name1-fluorobutane-1-sulfonamide
PubChem CID87704648
Molecular FormulaC4H10FNO2S
Molecular Weight155.19 g/mol
Exact Mass155.04
IUPAC Name1-fluorobutane-1-sulfonamide
SMILESCCCC(F)S(N)(=O)=O
InChIInChI=1S/C4H10FNO2S/c1-2-3-4(5)9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyUWHLNQFFMIRGED-UHFFFAOYSA-N
XLogP0.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butanesulfonamide
CID 18460
2-Pentanesulfonamide
CID 205367
Propane-2-sulfonamide
CID 3549191
1-Pentanesulfonamide
CID 10920696
Propane-1-sulphonamide
CID 3401849
2-Methylpropane-1-sulfonamide
CID 10197726
Hexane-1-sulfonamide
CID 13537577
2,2-Dimethylpropane-1-sulfonamide
CID 18348400
Butane-2-sulfonamide
CID 20482438
4,4,4-Trifluorobutane-1-sulfonamide
CID 22725686
3-Fluoro-1-propanesulfonamide
CID 53404000
4-Fluorobutane-1-sulfonamide
CID 53964049

Frequently Asked Questions

What is the IUPAC name of 1-fluorobutane-1-sulfonamide?
The IUPAC name of 1-fluorobutane-1-sulfonamide (CID 87704648) is 1-fluorobutane-1-sulfonamide.
What is the SMILES notation for 1-fluorobutane-1-sulfonamide?
The canonical SMILES for 1-fluorobutane-1-sulfonamide is CCCC(F)S(N)(=O)=O.
What is the InChIKey of 1-fluorobutane-1-sulfonamide?
The InChIKey is UWHLNQFFMIRGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S/c1-2-3-4(5)9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8).
What are the key properties of 1-fluorobutane-1-sulfonamide?
1-fluorobutane-1-sulfonamide has a molecular weight of 155.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutane-1-sulfonamide is sourced from PubChem (CID 87704648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).