5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol

C12H8Cl3NO3S — CID 160896978

IUPAC5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol
SMILESO=S(=O)(Cc1ncc(Cl)cc1O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl3NO3S/c13-7-1-8(14)3-10(2-7)20(18,19)6-11-12(17)4-9(15)5-16-11/h1-5,17H,6H2
InChIKeySOZUSXISPIKTQH-UHFFFAOYSA-N
MW352.63 g/mol
LogP3.72
Rot. Bonds3

About 5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol

5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol (PubChem CID 160896978) has the molecular formula C12H8Cl3NO3S and a molecular weight of 352.63 g/mol. Its IUPAC name is 5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol.

Molecular Properties

Compound Name5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol
PubChem CID160896978
Molecular FormulaC12H8Cl3NO3S
Molecular Weight352.63 g/mol
Exact Mass350.93
IUPAC Name5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol
SMILESO=S(=O)(Cc1ncc(Cl)cc1O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl3NO3S/c13-7-1-8(14)3-10(2-7)20(18,19)6-11-12(17)4-9(15)5-16-11/h1-5,17H,6H2
InChIKeySOZUSXISPIKTQH-UHFFFAOYSA-N
XLogP3.72
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.63
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol?
The IUPAC name of 5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol (CID 160896978) is 5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol.
What is the SMILES notation for 5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol?
The canonical SMILES for 5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol is O=S(=O)(Cc1ncc(Cl)cc1O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol?
The InChIKey is SOZUSXISPIKTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO3S/c13-7-1-8(14)3-10(2-7)20(18,19)6-11-12(17)4-9(15)5-16-11/h1-5,17H,6H2.
What are the key properties of 5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol?
5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol has a molecular weight of 352.63 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol is sourced from PubChem (CID 160896978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).