4-fluoro-N-methylbutane-1-sulfonamide

C5H12FNO2S — CID 90895607

IUPAC4-fluoro-N-methylbutane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCF
InChIInChI=1S/C5H12FNO2S/c1-7-10(8,9)5-3-2-4-6/h7H,2-5H2,1H3
InChIKeyGELGHOVXGZZHPA-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.29
Rot. Bonds5

About 4-fluoro-N-methylbutane-1-sulfonamide

4-fluoro-N-methylbutane-1-sulfonamide (PubChem CID 90895607) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-fluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methylbutane-1-sulfonamide
PubChem CID90895607
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name4-fluoro-N-methylbutane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCF
InChIInChI=1S/C5H12FNO2S/c1-7-10(8,9)5-3-2-4-6/h7H,2-5H2,1H3
InChIKeyGELGHOVXGZZHPA-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of 4-fluoro-N-methylbutane-1-sulfonamide (CID 90895607) is 4-fluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4-fluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4-fluoro-N-methylbutane-1-sulfonamide is CNS(=O)(=O)CCCCF.
What is the InChIKey of 4-fluoro-N-methylbutane-1-sulfonamide?
The InChIKey is GELGHOVXGZZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-7-10(8,9)5-3-2-4-6/h7H,2-5H2,1H3.
What are the key properties of 4-fluoro-N-methylbutane-1-sulfonamide?
4-fluoro-N-methylbutane-1-sulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 90895607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).