1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene

C8H8FNO4S2 — CID 20705403

IUPAC1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene
SMILESC=Cc1ccc(S(=O)(=O)N=S(=O)(O)F)cc1
InChIInChI=1S/C8H8FNO4S2/c1-2-7-3-5-8(6-4-7)15(11,12)10-16(9,13)14/h2-6H,1H2,(H,10,13,14)
InChIKeyQQGXPNUOVPRTCF-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.84
Rot. Bonds3

About 1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene

1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene (PubChem CID 20705403) has the molecular formula C8H8FNO4S2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene.

Molecular Properties

Compound Name1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene
PubChem CID20705403
Molecular FormulaC8H8FNO4S2
Molecular Weight265.29 g/mol
Exact Mass264.99
IUPAC Name1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene
SMILESC=Cc1ccc(S(=O)(=O)N=S(=O)(O)F)cc1
InChIInChI=1S/C8H8FNO4S2/c1-2-7-3-5-8(6-4-7)15(11,12)10-16(9,13)14/h2-6H,1H2,(H,10,13,14)
InChIKeyQQGXPNUOVPRTCF-UHFFFAOYSA-N
XLogP1.84
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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zinc bis(4-ethenylbenzenesulfonate)
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4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonic acid
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aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)
CID 175122600
diazanium;4-ethenylbenzenesulfonate;chloride
CID 177250725
(4-ethenylanilino)sulfamic acid
CID 141014770
4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 162571871
4-ethenyl-N-(4-ethenylphenyl)sulfonyl-N-methylbenzenesulfonamide
CID 130458466
1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid
CID 139967692

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene?
The IUPAC name of 1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene (CID 20705403) is 1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene.
What is the SMILES notation for 1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene?
The canonical SMILES for 1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene is C=Cc1ccc(S(=O)(=O)N=S(=O)(O)F)cc1.
What is the InChIKey of 1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene?
The InChIKey is QQGXPNUOVPRTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4S2/c1-2-7-3-5-8(6-4-7)15(11,12)10-16(9,13)14/h2-6H,1H2,(H,10,13,14).
What are the key properties of 1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene?
1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene has a molecular weight of 265.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(fluoro-hydroxy-oxo-λ6-sulfanylidene)amino]sulfonylbenzene is sourced from PubChem (CID 20705403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).