3-fluorobutane-2-sulfonamide

C4H10FNO2S — CID 154002912

IUPAC3-fluorobutane-2-sulfonamide
SMILESCC(F)C(C)S(N)(=O)=O
InChIInChI=1S/C4H10FNO2S/c1-3(5)4(2)9(6,7)8/h3-4H,1-2H3,(H2,6,7,8)
InChIKeyHXGIKGAYDKWZAR-UHFFFAOYSA-N
MW155.19 g/mol
LogP0.02
Rot. Bonds2

About 3-fluorobutane-2-sulfonamide

3-fluorobutane-2-sulfonamide (PubChem CID 154002912) has the molecular formula C4H10FNO2S and a molecular weight of 155.19 g/mol. Its IUPAC name is 3-fluorobutane-2-sulfonamide.

Molecular Properties

Compound Name3-fluorobutane-2-sulfonamide
PubChem CID154002912
Molecular FormulaC4H10FNO2S
Molecular Weight155.19 g/mol
Exact Mass155.04
IUPAC Name3-fluorobutane-2-sulfonamide
SMILESCC(F)C(C)S(N)(=O)=O
InChIInChI=1S/C4H10FNO2S/c1-3(5)4(2)9(6,7)8/h3-4H,1-2H3,(H2,6,7,8)
InChIKeyHXGIKGAYDKWZAR-UHFFFAOYSA-N
XLogP0.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluorobutane-2-sulfonamide?
The IUPAC name of 3-fluorobutane-2-sulfonamide (CID 154002912) is 3-fluorobutane-2-sulfonamide.
What is the SMILES notation for 3-fluorobutane-2-sulfonamide?
The canonical SMILES for 3-fluorobutane-2-sulfonamide is CC(F)C(C)S(N)(=O)=O.
What is the InChIKey of 3-fluorobutane-2-sulfonamide?
The InChIKey is HXGIKGAYDKWZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S/c1-3(5)4(2)9(6,7)8/h3-4H,1-2H3,(H2,6,7,8).
What are the key properties of 3-fluorobutane-2-sulfonamide?
3-fluorobutane-2-sulfonamide has a molecular weight of 155.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobutane-2-sulfonamide is sourced from PubChem (CID 154002912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).