2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide

C20H15FN2O3S — CID 68879948

IUPAC2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN2O3S/c21-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)27(25,26)20-18(19(22)24)2-1-13-23-20/h1-13H,(H2,22,24)/b4-3+
InChIKeyDAZLUXLXEVEBFY-ONEGZZNKSA-N
MW382.42 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide

2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide (PubChem CID 68879948) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide
PubChem CID68879948
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN2O3S/c21-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)27(25,26)20-18(19(22)24)2-1-13-23-20/h1-13H,(H2,22,24)/b4-3+
InChIKeyDAZLUXLXEVEBFY-ONEGZZNKSA-N
XLogP3.32
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonyl chloride
CID 173123393
2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine
CID 68878850
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile
CID 68880762
2-chloropyridine-3-carbonitrile;2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile
CID 162148560
2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide
CID 21099433
2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-methylbenzoic acid
CID 68532916
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-methylbenzoic acid
CID 68532913
2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol
CID 68877945
2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
CID 153410852
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate
CID 7329507
3-(benzenesulfonyl)pyrazine-2-carboxamide
CID 12556850
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
CID 75408108

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide (CID 68879948) is 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide is NC(=O)c1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide?
The InChIKey is DAZLUXLXEVEBFY-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c21-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)27(25,26)20-18(19(22)24)2-1-13-23-20/h1-13H,(H2,22,24)/b4-3+.
What are the key properties of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide?
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 68879948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).