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

C19H15F2NO3S — CID 21099409

IUPAC5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol
SMILESO=S(=O)(c1ccc(CCc2ccc(F)cc2O)nc1)c1ccccc1F
InChIInChI=1S/C19H15F2NO3S/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/h1-5,7,9-12,23H,6,8H2
InChIKeyZMEBQFLINSEUPB-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.68
Rot. Bonds5

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

5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol (PubChem CID 21099409) has the molecular formula C19H15F2NO3S and a molecular weight of 375.40 g/mol. Its IUPAC name is 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol
PubChem CID21099409
Molecular FormulaC19H15F2NO3S
Molecular Weight375.40 g/mol
Exact Mass375.07
IUPAC Name5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol
SMILESO=S(=O)(c1ccc(CCc2ccc(F)cc2O)nc1)c1ccccc1F
InChIInChI=1S/C19H15F2NO3S/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/h1-5,7,9-12,23H,6,8H2
InChIKeyZMEBQFLINSEUPB-UHFFFAOYSA-N
XLogP3.68
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.68
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]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol (CID 21099409) is 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol is O=S(=O)(c1ccc(CCc2ccc(F)cc2O)nc1)c1ccccc1F.
What is the InChIKey of 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol?
The InChIKey is ZMEBQFLINSEUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3S/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/h1-5,7,9-12,23H,6,8H2.
What are the key properties of 5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol?
5-fluoro-2-[2-[5-(2-fluorophenyl)sulfonyl-2-pyridinyl]ethyl]phenol has a molecular weight of 375.40 g/mol, XLogP of 3.68, 5 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]ethyl]phenol is sourced from PubChem (CID 21099409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).