1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol

C14H14ClNO2S — CID 56688333

IUPAC1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol
SMILESCS(=O)CC(O)(c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c1-19(18)10-14(17,12-6-8-16-9-7-12)11-2-4-13(15)5-3-11/h2-9,17H,10H2,1H3
InChIKeyDGAMRMRUQSLGAR-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.35
Rot. Bonds4

About 1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol

1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol (PubChem CID 56688333) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol
PubChem CID56688333
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol
SMILESCS(=O)CC(O)(c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c1-19(18)10-14(17,12-6-8-16-9-7-12)11-2-4-13(15)5-3-11/h2-9,17H,10H2,1H3
InChIKeyDGAMRMRUQSLGAR-UHFFFAOYSA-N
XLogP2.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol (CID 56688333) is 1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol is CS(=O)CC(O)(c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol?
The InChIKey is DGAMRMRUQSLGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-19(18)10-14(17,12-6-8-16-9-7-12)11-2-4-13(15)5-3-11/h2-9,17H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol?
1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol has a molecular weight of 295.79 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methylsulfinyl-1-pyridin-4-ylethanol is sourced from PubChem (CID 56688333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).