N-(fluoromethylsulfonyl)ethanesulfonamide

C3H8FNO4S2 — CID 89446953

IUPACN-(fluoromethylsulfonyl)ethanesulfonamide
SMILESCCS(=O)(=O)NS(=O)(=O)CF
InChIInChI=1S/C3H8FNO4S2/c1-2-10(6,7)5-11(8,9)3-4/h5H,2-3H2,1H3
InChIKeyFOOCTGCPGOTKFH-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.82
Rot. Bonds4

About N-(fluoromethylsulfonyl)ethanesulfonamide

N-(fluoromethylsulfonyl)ethanesulfonamide (PubChem CID 89446953) has the molecular formula C3H8FNO4S2 and a molecular weight of 205.23 g/mol. Its IUPAC name is N-(fluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(fluoromethylsulfonyl)ethanesulfonamide
PubChem CID89446953
Molecular FormulaC3H8FNO4S2
Molecular Weight205.23 g/mol
Exact Mass204.99
IUPAC NameN-(fluoromethylsulfonyl)ethanesulfonamide
SMILESCCS(=O)(=O)NS(=O)(=O)CF
InChIInChI=1S/C3H8FNO4S2/c1-2-10(6,7)5-11(8,9)3-4/h5H,2-3H2,1H3
InChIKeyFOOCTGCPGOTKFH-UHFFFAOYSA-N
XLogP-0.82
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of N-(fluoromethylsulfonyl)ethanesulfonamide (CID 89446953) is N-(fluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for N-(fluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for N-(fluoromethylsulfonyl)ethanesulfonamide is CCS(=O)(=O)NS(=O)(=O)CF.
What is the InChIKey of N-(fluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is FOOCTGCPGOTKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO4S2/c1-2-10(6,7)5-11(8,9)3-4/h5H,2-3H2,1H3.
What are the key properties of N-(fluoromethylsulfonyl)ethanesulfonamide?
N-(fluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 205.23 g/mol, XLogP of -0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 89446953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).