2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride

C7H6F2O4S2 — CID 122236189

IUPAC2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)F)c1
InChIInChI=1S/C7H6F2O4S2/c1-14(10,11)5-2-3-6(8)7(4-5)15(9,12)13/h2-4H,1H3
InChIKeyQDAUDHUDLCGCOH-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.89
Rot. Bonds2

About 2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride

2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride (PubChem CID 122236189) has the molecular formula C7H6F2O4S2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride
PubChem CID122236189
Molecular FormulaC7H6F2O4S2
Molecular Weight256.25 g/mol
Exact Mass255.97
IUPAC Name2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)F)c1
InChIInChI=1S/C7H6F2O4S2/c1-14(10,11)5-2-3-6(8)7(4-5)15(9,12)13/h2-4H,1H3
InChIKeyQDAUDHUDLCGCOH-UHFFFAOYSA-N
XLogP0.89
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-methoxy-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 61051748
N'-(2-fluoro-5-methylsulfonylphenyl)sulfonylacetohydrazide
CID 61217431
2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide
CID 43571193
N-ethoxy-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 64973761
2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 60918249
3-fluoro-4-methylsulfonylbenzenesulfonyl fluoride
CID 165459599
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
N-butan-2-yl-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 43454763
1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 83409937
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 104868981
2-fluoro-5-methylsulfonyl-N-pentan-2-ylbenzenesulfonamide
CID 43454734
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride?
The IUPAC name of 2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride (CID 122236189) is 2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride.
What is the SMILES notation for 2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride?
The canonical SMILES for 2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)F)c1.
What is the InChIKey of 2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride?
The InChIKey is QDAUDHUDLCGCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O4S2/c1-14(10,11)5-2-3-6(8)7(4-5)15(9,12)13/h2-4H,1H3.
What are the key properties of 2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride?
2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride has a molecular weight of 256.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride is sourced from PubChem (CID 122236189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).