2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride

C5H11F2NO4S2 — CID 162405448

IUPAC2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride
SMILESCN(CCS(=O)(=O)F)CCS(=O)(=O)F
InChIInChI=1S/C5H11F2NO4S2/c1-8(2-4-13(6,9)10)3-5-14(7,11)12/h2-5H2,1H3
InChIKeyUXZWJQKLYUHDED-UHFFFAOYSA-N
MW251.28 g/mol
LogP-0.48
Rot. Bonds6

About 2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride

2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride (PubChem CID 162405448) has the molecular formula C5H11F2NO4S2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride
PubChem CID162405448
Molecular FormulaC5H11F2NO4S2
Molecular Weight251.28 g/mol
Exact Mass251.01
IUPAC Name2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride
SMILESCN(CCS(=O)(=O)F)CCS(=O)(=O)F
InChIInChI=1S/C5H11F2NO4S2/c1-8(2-4-13(6,9)10)3-5-14(7,11)12/h2-5H2,1H3
InChIKeyUXZWJQKLYUHDED-UHFFFAOYSA-N
XLogP-0.48
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride?
The IUPAC name of 2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride (CID 162405448) is 2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride?
The canonical SMILES for 2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride is CN(CCS(=O)(=O)F)CCS(=O)(=O)F.
What is the InChIKey of 2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride?
The InChIKey is UXZWJQKLYUHDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO4S2/c1-8(2-4-13(6,9)10)3-5-14(7,11)12/h2-5H2,1H3.
What are the key properties of 2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride?
2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride has a molecular weight of 251.28 g/mol, XLogP of -0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluorosulfonylethyl(methyl)amino]ethanesulfonyl fluoride is sourced from PubChem (CID 162405448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).