3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine

C13H9Cl2NO2S — CID 162649934

IUPAC3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C\c1ncccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C13H9Cl2NO2S/c14-10-3-1-4-11(9-10)19(17,18)8-6-13-12(15)5-2-7-16-13/h1-9H/b8-6-
InChIKeyPVCXTYQNIWTPIN-VURMDHGXSA-N
MW314.19 g/mol
LogP3.83
Rot. Bonds3

About 3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine

3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine (PubChem CID 162649934) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is 3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
PubChem CID162649934
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC Name3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C\c1ncccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C13H9Cl2NO2S/c14-10-3-1-4-11(9-10)19(17,18)8-6-13-12(15)5-2-7-16-13/h1-9H/b8-6-
InChIKeyPVCXTYQNIWTPIN-VURMDHGXSA-N
XLogP3.83
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
The IUPAC name of 3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine (CID 162649934) is 3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine is O=S(=O)(/C=C\c1ncccc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
The InChIKey is PVCXTYQNIWTPIN-VURMDHGXSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c14-10-3-1-4-11(9-10)19(17,18)8-6-13-12(15)5-2-7-16-13/h1-9H/b8-6-.
What are the key properties of 3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine has a molecular weight of 314.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 162649934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).