5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol

C19H13F2NO3S — CID 136623576

IUPAC5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol
SMILESO=S(=O)(c1ccc(C=Cc2ccc(F)cc2O)nc1)c1ccccc1F
InChIInChI=1S/C19H13F2NO3S/c20-14-7-5-13(18(23)11-14)6-8-15-9-10-16(12-22-15)26(24,25)19-4-2-1-3-17(19)21/h1-12,23H
InChIKeyQMVRSBUQOIXYIF-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.07
Rot. Bonds4

About 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol

5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol (PubChem CID 136623576) has the molecular formula C19H13F2NO3S and a molecular weight of 373.38 g/mol. Its IUPAC name is 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol
PubChem CID136623576
Molecular FormulaC19H13F2NO3S
Molecular Weight373.38 g/mol
Exact Mass373.06
IUPAC Name5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol
SMILESO=S(=O)(c1ccc(C=Cc2ccc(F)cc2O)nc1)c1ccccc1F
InChIInChI=1S/C19H13F2NO3S/c20-14-7-5-13(18(23)11-14)6-8-15-9-10-16(12-22-15)26(24,25)19-4-2-1-3-17(19)21/h1-12,23H
InChIKeyQMVRSBUQOIXYIF-UHFFFAOYSA-N
XLogP4.07
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol?
The IUPAC name of 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol (CID 136623576) is 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol.
What is the SMILES notation for 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol?
The canonical SMILES for 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol is O=S(=O)(c1ccc(C=Cc2ccc(F)cc2O)nc1)c1ccccc1F.
What is the InChIKey of 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol?
The InChIKey is QMVRSBUQOIXYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3S/c20-14-7-5-13(18(23)11-14)6-8-15-9-10-16(12-22-15)26(24,25)19-4-2-1-3-17(19)21/h1-12,23H.
What are the key properties of 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol?
5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol has a molecular weight of 373.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethenyl]phenol is sourced from PubChem (CID 136623576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).