3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan

C12H7FO3S2 — CID 174415076

IUPAC3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan
SMILESO=S(=O)(c1ccoc1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C12H7FO3S2/c13-9-2-1-8-5-12(17-11(8)6-9)18(14,15)10-3-4-16-7-10/h1-7H
InChIKeyVJXZIWFZTFAFCQ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.47
Rot. Bonds2

About 3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan

3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan (PubChem CID 174415076) has the molecular formula C12H7FO3S2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan.

Molecular Properties

Compound Name3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan
PubChem CID174415076
Molecular FormulaC12H7FO3S2
Molecular Weight282.32 g/mol
Exact Mass281.98
IUPAC Name3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan
SMILESO=S(=O)(c1ccoc1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C12H7FO3S2/c13-9-2-1-8-5-12(17-11(8)6-9)18(14,15)10-3-4-16-7-10/h1-7H
InChIKeyVJXZIWFZTFAFCQ-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1-benzothiophene-2-sulfonyl fluoride
CID 165452836
6-fluoro-1-benzothiophen-2-amine
CID 82597319
2-fluoro-6-(6-fluoronaphthalen-2-yl)sulfonylnaphthalene
CID 59266821
1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 81105075
(2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid
CID 88702899
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215
(6-fluoro-1-benzothiophen-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81104737
(5-bromo-3-methyltriazol-4-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106464325
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105088
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780125

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan?
The IUPAC name of 3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan (CID 174415076) is 3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan.
What is the SMILES notation for 3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan?
The canonical SMILES for 3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan is O=S(=O)(c1ccoc1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan?
The InChIKey is VJXZIWFZTFAFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FO3S2/c13-9-2-1-8-5-12(17-11(8)6-9)18(14,15)10-3-4-16-7-10/h1-7H.
What are the key properties of 3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan?
3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan has a molecular weight of 282.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]furan is sourced from PubChem (CID 174415076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).