3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine

C14H12ClNO3S — CID 155559174

IUPAC3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1ccccc1S(=O)(=O)/C=C/c1ncccc1Cl
InChIInChI=1S/C14H12ClNO3S/c1-19-13-6-2-3-7-14(13)20(17,18)10-8-12-11(15)5-4-9-16-12/h2-10H,1H3/b10-8+
InChIKeyPICVBLTYQCZRST-CSKARUKUSA-N
MW309.77 g/mol
LogP3.19
Rot. Bonds4

About 3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine

3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155559174) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155559174
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1ccccc1S(=O)(=O)/C=C/c1ncccc1Cl
InChIInChI=1S/C14H12ClNO3S/c1-19-13-6-2-3-7-14(13)20(17,18)10-8-12-11(15)5-4-9-16-12/h2-10H,1H3/b10-8+
InChIKeyPICVBLTYQCZRST-CSKARUKUSA-N
XLogP3.19
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine (CID 155559174) is 3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine is COc1ccccc1S(=O)(=O)/C=C/c1ncccc1Cl.
What is the InChIKey of 3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is PICVBLTYQCZRST-CSKARUKUSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-19-13-6-2-3-7-14(13)20(17,18)10-8-12-11(15)5-4-9-16-12/h2-10H,1H3/b10-8+.
What are the key properties of 3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine?
3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine has a molecular weight of 309.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155559174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).