5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine

C19H12BrF2NO2S — CID 21099466

IUPAC5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine
SMILESO=S(=O)(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1cccc(Br)c1
InChIInChI=1S/C19H12BrF2NO2S/c20-14-2-1-3-17(10-14)26(24,25)18-9-8-16(23-12-18)7-5-13-4-6-15(21)11-19(13)22/h1-12H/b7-5+
InChIKeyOKRMLJDJTNXBCK-FNORWQNLSA-N
MW436.28 g/mol
LogP5.13
Rot. Bonds4

About 5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine

5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine (PubChem CID 21099466) has the molecular formula C19H12BrF2NO2S and a molecular weight of 436.28 g/mol. Its IUPAC name is 5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine
PubChem CID21099466
Molecular FormulaC19H12BrF2NO2S
Molecular Weight436.28 g/mol
Exact Mass434.97
IUPAC Name5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine
SMILESO=S(=O)(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1cccc(Br)c1
InChIInChI=1S/C19H12BrF2NO2S/c20-14-2-1-3-17(10-14)26(24,25)18-9-8-16(23-12-18)7-5-13-4-6-15(21)11-19(13)22/h1-12H/b7-5+
InChIKeyOKRMLJDJTNXBCK-FNORWQNLSA-N
XLogP5.13
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.28
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(3-bromophenyl)sulfonylphenyl]ethenyl]-2,4-difluorobenzene
CID 68533166
2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
CID 68530611
1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine
CID 68536464
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-(2-fluorophenyl)sulfonylpyridine
CID 11494537
2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline
CID 7945982
4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine
CID 68535723
1-bromo-3-(4-tert-butylphenyl)sulfonylbenzene
CID 19883608
2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
CID 87339541
lithium 3-bromobenzenesulfonate
CID 139842272
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200
1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene
CID 73043521
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 26559299

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine?
The IUPAC name of 5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine (CID 21099466) is 5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine.
What is the SMILES notation for 5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine?
The canonical SMILES for 5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine is O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine?
The InChIKey is OKRMLJDJTNXBCK-FNORWQNLSA-N. The full InChI is InChI=1S/C19H12BrF2NO2S/c20-14-2-1-3-17(10-14)26(24,25)18-9-8-16(23-12-18)7-5-13-4-6-15(21)11-19(13)22/h1-12H/b7-5+.
What are the key properties of 5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine?
5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine has a molecular weight of 436.28 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)sulfonyl-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine is sourced from PubChem (CID 21099466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).