2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide

C3H7F2NO4S2 — CID 59592568

IUPAC2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(CF)NS(=O)(=O)CCF
InChIInChI=1S/C3H7F2NO4S2/c4-1-2-11(7,8)6-12(9,10)3-5/h6H,1-3H2
InChIKeyCRBOBSDVNYSEIE-UHFFFAOYSA-N
MW223.22 g/mol
LogP-0.87
Rot. Bonds5

About 2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide

2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide (PubChem CID 59592568) has the molecular formula C3H7F2NO4S2 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide
PubChem CID59592568
Molecular FormulaC3H7F2NO4S2
Molecular Weight223.22 g/mol
Exact Mass222.98
IUPAC Name2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(CF)NS(=O)(=O)CCF
InChIInChI=1S/C3H7F2NO4S2/c4-1-2-11(7,8)6-12(9,10)3-5/h6H,1-3H2
InChIKeyCRBOBSDVNYSEIE-UHFFFAOYSA-N
XLogP-0.87
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of 2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide (CID 59592568) is 2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide is O=S(=O)(CF)NS(=O)(=O)CCF.
What is the InChIKey of 2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is CRBOBSDVNYSEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO4S2/c4-1-2-11(7,8)6-12(9,10)3-5/h6H,1-3H2.
What are the key properties of 2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide?
2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 223.22 g/mol, XLogP of -0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(fluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 59592568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).