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

C14H13NO3S — CID 155537472

IUPAC4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2ccncc2)c1
InChIInChI=1S/C14H13NO3S/c1-18-13-3-2-4-14(11-13)19(16,17)10-7-12-5-8-15-9-6-12/h2-11H,1H3/b10-7+
InChIKeyBGEXJTGUFIGZKU-JXMROGBWSA-N
MW275.33 g/mol
LogP2.53
Rot. Bonds4

About 4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine

4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155537472) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155537472
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2ccncc2)c1
InChIInChI=1S/C14H13NO3S/c1-18-13-3-2-4-14(11-13)19(16,17)10-7-12-5-8-15-9-6-12/h2-11H,1H3/b10-7+
InChIKeyBGEXJTGUFIGZKU-JXMROGBWSA-N
XLogP2.53
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
3-[(4-methoxyphenyl)sulfanyl]-N-(4-pyridinylmethyl)propanamide
CID 2812946
3-(4-Phenoxypyridin-1-ium-1-yl)propane-1-sulfonate
CID 3108930
3,4-dimethoxy-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237445
4-bromo-3-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2242946
2,5-dimethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 794488
3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 870239
N,N-dimethyl-1-(4-(4-(methylthio)phenoxy)pyridin-3-yl)methanamine
CID 9835259

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (CID 155537472) is 4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is COc1cccc(S(=O)(=O)/C=C/c2ccncc2)c1.
What is the InChIKey of 4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is BGEXJTGUFIGZKU-JXMROGBWSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-13-3-2-4-14(11-13)19(16,17)10-7-12-5-8-15-9-6-12/h2-11H,1H3/b10-7+.
What are the key properties of 4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine has a molecular weight of 275.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155537472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).