3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol

C18H17ClN2O3S — CID 70299776

IUPAC3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1ccc(-c2ccnn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H17ClN2O3S/c19-15-3-1-4-16(13-15)21-18(9-10-20-21)14-5-7-17(8-6-14)25(23,24)12-2-11-22/h1,3-10,13,22H,2,11-12H2
InChIKeyPXUNJMFUGZLXQK-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.35
Rot. Bonds6

About 3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol

3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol (PubChem CID 70299776) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol
PubChem CID70299776
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1ccc(-c2ccnn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H17ClN2O3S/c19-15-3-1-4-16(13-15)21-18(9-10-20-21)14-5-7-17(8-6-14)25(23,24)12-2-11-22/h1,3-10,13,22H,2,11-12H2
InChIKeyPXUNJMFUGZLXQK-UHFFFAOYSA-N
XLogP3.35
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol?
The IUPAC name of 3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol (CID 70299776) is 3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol.
What is the SMILES notation for 3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol?
The canonical SMILES for 3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol is O=S(=O)(CCCO)c1ccc(-c2ccnn2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol?
The InChIKey is PXUNJMFUGZLXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c19-15-3-1-4-16(13-15)21-18(9-10-20-21)14-5-7-17(8-6-14)25(23,24)12-2-11-22/h1,3-10,13,22H,2,11-12H2.
What are the key properties of 3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol?
3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol has a molecular weight of 376.87 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol is sourced from PubChem (CID 70299776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).