2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol

C18H17FN2O3S — CID 70299812

IUPAC2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol
SMILESCc1cc(-n2nccc2-c2ccc(S(=O)(=O)CCO)cc2)ccc1F
InChIInChI=1S/C18H17FN2O3S/c1-13-12-15(4-7-17(13)19)21-18(8-9-20-21)14-2-5-16(6-3-14)25(23,24)11-10-22/h2-9,12,22H,10-11H2,1H3
InChIKeyIVTRTHVYHPQSBE-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.75
Rot. Bonds5

About 2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol

2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol (PubChem CID 70299812) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol.

Molecular Properties

Compound Name2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol
PubChem CID70299812
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol
SMILESCc1cc(-n2nccc2-c2ccc(S(=O)(=O)CCO)cc2)ccc1F
InChIInChI=1S/C18H17FN2O3S/c1-13-12-15(4-7-17(13)19)21-18(8-9-20-21)14-2-5-16(6-3-14)25(23,24)11-10-22/h2-9,12,22H,10-11H2,1H3
InChIKeyIVTRTHVYHPQSBE-UHFFFAOYSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol?
The IUPAC name of 2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol (CID 70299812) is 2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol.
What is the SMILES notation for 2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol?
The canonical SMILES for 2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol is Cc1cc(-n2nccc2-c2ccc(S(=O)(=O)CCO)cc2)ccc1F.
What is the InChIKey of 2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol?
The InChIKey is IVTRTHVYHPQSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-13-12-15(4-7-17(13)19)21-18(8-9-20-21)14-2-5-16(6-3-14)25(23,24)11-10-22/h2-9,12,22H,10-11H2,1H3.
What are the key properties of 2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol?
2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol has a molecular weight of 360.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol is sourced from PubChem (CID 70299812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).