5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine

C19H13F2NO2S — CID 21099472

IUPAC5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1
InChIInChI=1S/C19H13F2NO2S/c20-15-8-6-14(19(21)12-15)7-9-16-10-11-18(13-22-16)25(23,24)17-4-2-1-3-5-17/h1-13H/b9-7+
InChIKeyWSSRAGJKXMFYQO-VQHVLOKHSA-N
MW357.38 g/mol
LogP4.36
Rot. Bonds4

About 5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine

5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine (PubChem CID 21099472) has the molecular formula C19H13F2NO2S and a molecular weight of 357.38 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine
PubChem CID21099472
Molecular FormulaC19H13F2NO2S
Molecular Weight357.38 g/mol
Exact Mass357.06
IUPAC Name5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1
InChIInChI=1S/C19H13F2NO2S/c20-15-8-6-14(19(21)12-15)7-9-16-10-11-18(13-22-16)25(23,24)17-4-2-1-3-5-17/h1-13H/b9-7+
InChIKeyWSSRAGJKXMFYQO-VQHVLOKHSA-N
XLogP4.36
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(E)-2-(2,4-difluorostyryl)-5-(phenylsulfinyl)pyridine
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2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
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Phenyl 2-pyridylmethyl sulfone
CID 3321062
4-Benzylsulfanylpyridine-3-sulfonamide
CID 901953
(E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine
CID 44439376
(E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine
CID 44439386
2-{[2-(Phenylsulfonyl)ethyl]thio}-5-(trifluoromethyl)pyridine
CID 2820396
3-(2,4-Difluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5703047

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine?
The IUPAC name of 5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine (CID 21099472) is 5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine.
What is the SMILES notation for 5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine?
The canonical SMILES for 5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine is O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1.
What is the InChIKey of 5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine?
The InChIKey is WSSRAGJKXMFYQO-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H13F2NO2S/c20-15-8-6-14(19(21)12-15)7-9-16-10-11-18(13-22-16)25(23,24)17-4-2-1-3-5-17/h1-13H/b9-7+.
What are the key properties of 5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine?
5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine has a molecular weight of 357.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine is sourced from PubChem (CID 21099472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).