1-fluoro-N-methylmethanesulfonamide

C2H6FNO2S — CID 58420843

IUPAC1-fluoro-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CF
InChIInChI=1S/C2H6FNO2S/c1-4-7(5,6)2-3/h4H,2H2,1H3
InChIKeyQNPBAAZROSHINA-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.54
Rot. Bonds2

About 1-fluoro-N-methylmethanesulfonamide

1-fluoro-N-methylmethanesulfonamide (PubChem CID 58420843) has the molecular formula C2H6FNO2S and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-fluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-fluoro-N-methylmethanesulfonamide
PubChem CID58420843
Molecular FormulaC2H6FNO2S
Molecular Weight127.14 g/mol
Exact Mass127.01
IUPAC Name1-fluoro-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CF
InChIInChI=1S/C2H6FNO2S/c1-4-7(5,6)2-3/h4H,2H2,1H3
InChIKeyQNPBAAZROSHINA-UHFFFAOYSA-N
XLogP-0.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methylmethanesulfonamide?
The IUPAC name of 1-fluoro-N-methylmethanesulfonamide (CID 58420843) is 1-fluoro-N-methylmethanesulfonamide.
What is the SMILES notation for 1-fluoro-N-methylmethanesulfonamide?
The canonical SMILES for 1-fluoro-N-methylmethanesulfonamide is CNS(=O)(=O)CF.
What is the InChIKey of 1-fluoro-N-methylmethanesulfonamide?
The InChIKey is QNPBAAZROSHINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6FNO2S/c1-4-7(5,6)2-3/h4H,2H2,1H3.
What are the key properties of 1-fluoro-N-methylmethanesulfonamide?
1-fluoro-N-methylmethanesulfonamide has a molecular weight of 127.14 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 58420843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).