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

C14H12ClNO3S — CID 155554308

IUPAC2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2cccnc2Cl)c1
InChIInChI=1S/C14H12ClNO3S/c1-19-12-5-2-6-13(10-12)20(17,18)9-7-11-4-3-8-16-14(11)15/h2-10H,1H3/b9-7+
InChIKeyHNDNISZIZQEGJA-VQHVLOKHSA-N
MW309.77 g/mol
LogP3.19
Rot. Bonds4

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

2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155554308) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155554308
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2cccnc2Cl)c1
InChIInChI=1S/C14H12ClNO3S/c1-19-12-5-2-6-13(10-12)20(17,18)9-7-11-4-3-8-16-14(11)15/h2-10H,1H3/b9-7+
InChIKeyHNDNISZIZQEGJA-VQHVLOKHSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2240759
3-Chloro-4-methoxy-N-pyridin-4-ylmethyl-benzenesulfonamide
CID 974271
Pyridine, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-
CID 514892
2-chloro-3-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 72190292
3-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155525158
3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155559174
3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155566926
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 18284689
2,6-dichloro-3-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 72190294
3-fluoro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155526171
2-chloro-3-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155527259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (CID 155554308) is 2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is COc1cccc(S(=O)(=O)/C=C/c2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is HNDNISZIZQEGJA-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-19-12-5-2-6-13(10-12)20(17,18)9-7-11-4-3-8-16-14(11)15/h2-10H,1H3/b9-7+.
What are the key properties of 2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
2-chloro-3-[(E)-2-(3-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 2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155554308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).