2-(dimethylsulfamoyl)ethanesulfonyl fluoride

C4H10FNO4S2 — CID 122235993

IUPAC2-(dimethylsulfamoyl)ethanesulfonyl fluoride
SMILESCN(C)S(=O)(=O)CCS(=O)(=O)F
InChIInChI=1S/C4H10FNO4S2/c1-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3
InChIKeySAQQYAHJLFRLGJ-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.82
Rot. Bonds4

About 2-(dimethylsulfamoyl)ethanesulfonyl fluoride

2-(dimethylsulfamoyl)ethanesulfonyl fluoride (PubChem CID 122235993) has the molecular formula C4H10FNO4S2 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(dimethylsulfamoyl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(dimethylsulfamoyl)ethanesulfonyl fluoride
PubChem CID122235993
Molecular FormulaC4H10FNO4S2
Molecular Weight219.26 g/mol
Exact Mass219.00
IUPAC Name2-(dimethylsulfamoyl)ethanesulfonyl fluoride
SMILESCN(C)S(=O)(=O)CCS(=O)(=O)F
InChIInChI=1S/C4H10FNO4S2/c1-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3
InChIKeySAQQYAHJLFRLGJ-UHFFFAOYSA-N
XLogP-0.82
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoyl)ethanesulfonyl fluoride?
The IUPAC name of 2-(dimethylsulfamoyl)ethanesulfonyl fluoride (CID 122235993) is 2-(dimethylsulfamoyl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(dimethylsulfamoyl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(dimethylsulfamoyl)ethanesulfonyl fluoride is CN(C)S(=O)(=O)CCS(=O)(=O)F.
What is the InChIKey of 2-(dimethylsulfamoyl)ethanesulfonyl fluoride?
The InChIKey is SAQQYAHJLFRLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO4S2/c1-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3.
What are the key properties of 2-(dimethylsulfamoyl)ethanesulfonyl fluoride?
2-(dimethylsulfamoyl)ethanesulfonyl fluoride has a molecular weight of 219.26 g/mol, XLogP of -0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoyl)ethanesulfonyl fluoride is sourced from PubChem (CID 122235993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).