1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol

C13H18ClNO4S — CID 81103189

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-13(16)5-7-15(8-6-13)20(17,18)10-3-4-12(19-2)11(14)9-10/h3-4,9,16H,5-8H2,1-2H3
InChIKeyGQFMYRAXZCHCSL-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.88
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol

1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 81103189) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID81103189
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-13(16)5-7-15(8-6-13)20(17,18)10-3-4-12(19-2)11(14)9-10/h3-4,9,16H,5-8H2,1-2H3
InChIKeyGQFMYRAXZCHCSL-UHFFFAOYSA-N
XLogP1.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol (CID 81103189) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol is COc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is GQFMYRAXZCHCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-13(16)5-7-15(8-6-13)20(17,18)10-3-4-12(19-2)11(14)9-10/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol?
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol has a molecular weight of 319.81 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).