1-fluoro-N-methylbutane-1-sulfonamide

C5H12FNO2S — CID 91535676

IUPAC1-fluoro-N-methylbutane-1-sulfonamide
SMILESCCCC(F)S(=O)(=O)NC
InChIInChI=1S/C5H12FNO2S/c1-3-4-5(6)10(8,9)7-2/h5,7H,3-4H2,1-2H3
InChIKeyOLDOMPKILJTAOB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.63
Rot. Bonds4

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

1-fluoro-N-methylbutane-1-sulfonamide (PubChem CID 91535676) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-fluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name1-fluoro-N-methylbutane-1-sulfonamide
PubChem CID91535676
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name1-fluoro-N-methylbutane-1-sulfonamide
SMILESCCCC(F)S(=O)(=O)NC
InChIInChI=1S/C5H12FNO2S/c1-3-4-5(6)10(8,9)7-2/h5,7H,3-4H2,1-2H3
InChIKeyOLDOMPKILJTAOB-UHFFFAOYSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylbutane-1-sulfonamide
CID 13343581
N-methylcyclopropanesulfonamide
CID 15334537
N-methylethane-1-sulfonamide
CID 11105495
N-Methylpropane-1-sulfonamide
CID 14399856
N-methylpropane-2-sulfonamide
CID 20487245
3,3,3-trifluoro-N-methylpropane-1-sulfonamide
CID 88571719
Fluorobutane sulfonamide
CID 87704648
N-methyl fluoroctane sulfonamide
CID 129829200
N-(2,2,2-trifluoroethyl)butane-2-sulfonamide
CID 21029736
N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 60650267
N-(3,3,3-trifluoropropyl)propane-2-sulfonamide
CID 64585926
N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 64592543

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of 1-fluoro-N-methylbutane-1-sulfonamide (CID 91535676) is 1-fluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 1-fluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for 1-fluoro-N-methylbutane-1-sulfonamide is CCCC(F)S(=O)(=O)NC.
What is the InChIKey of 1-fluoro-N-methylbutane-1-sulfonamide?
The InChIKey is OLDOMPKILJTAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-3-4-5(6)10(8,9)7-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-N-methylbutane-1-sulfonamide?
1-fluoro-N-methylbutane-1-sulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 91535676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).