2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride

C14H10F2N2O8S2 — CID 3565578

IUPAC2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride
SMILESO=c1c2cc3c(=O)n(CCS(=O)(=O)F)c(=O)c3cc2c(=O)n1CCS(=O)(=O)F
InChIInChI=1S/C14H10F2N2O8S2/c15-27(23,24)3-1-17-11(19)7-5-9-10(6-8(7)12(17)20)14(22)18(13(9)21)2-4-28(16,25)26/h5-6H,1-4H2
InChIKeyJVKNTGIFZYYUIB-UHFFFAOYSA-N
MW436.37 g/mol
LogP-1.49
Rot. Bonds6

About 2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride

2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride (PubChem CID 3565578) has the molecular formula C14H10F2N2O8S2 and a molecular weight of 436.37 g/mol. Its IUPAC name is 2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride
PubChem CID3565578
Molecular FormulaC14H10F2N2O8S2
Molecular Weight436.37 g/mol
Exact Mass435.98
IUPAC Name2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride
SMILESO=c1c2cc3c(=O)n(CCS(=O)(=O)F)c(=O)c3cc2c(=O)n1CCS(=O)(=O)F
InChIInChI=1S/C14H10F2N2O8S2/c15-27(23,24)3-1-17-11(19)7-5-9-10(6-8(7)12(17)20)14(22)18(13(9)21)2-4-28(16,25)26/h5-6H,1-4H2
InChIKeyJVKNTGIFZYYUIB-UHFFFAOYSA-N
XLogP-1.49
TPSA146.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride?
The IUPAC name of 2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride (CID 3565578) is 2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride?
The canonical SMILES for 2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride is O=c1c2cc3c(=O)n(CCS(=O)(=O)F)c(=O)c3cc2c(=O)n1CCS(=O)(=O)F.
What is the InChIKey of 2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride?
The InChIKey is JVKNTGIFZYYUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O8S2/c15-27(23,24)3-1-17-11(19)7-5-9-10(6-8(7)12(17)20)14(22)18(13(9)21)2-4-28(16,25)26/h5-6H,1-4H2.
What are the key properties of 2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride?
2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride has a molecular weight of 436.37 g/mol, XLogP of -1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorosulfonylethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethanesulfonyl fluoride is sourced from PubChem (CID 3565578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).