(E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide

C20H15FN2O3S — CID 70978270

IUPAC(E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H15FN2O3S/c21-16-4-1-5-19(13-16)27(25,26)18-9-7-17(8-10-18)23-20(24)11-6-15-3-2-12-22-14-15/h1-14H,(H,23,24)/b11-6+
InChIKeyMMNMOBJXKFGIQU-IZZDOVSWSA-N
MW382.42 g/mol
LogP3.71
Rot. Bonds5

About (E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 70978270) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is (E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID70978270
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name(E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H15FN2O3S/c21-16-4-1-5-19(13-16)27(25,26)18-9-7-17(8-10-18)23-20(24)11-6-15-3-2-12-22-14-15/h1-14H,(H,23,24)/b11-6+
InChIKeyMMNMOBJXKFGIQU-IZZDOVSWSA-N
XLogP3.71
TPSA76.13 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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

A-784168
CID 11420211
(1s,2s)-N-[4-(Phenylsulfonyl)phenyl]-2-(Pyridin-3-Yl)cyclopropanecarboxamide
CID 71720911
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
(E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine
CID 44439376
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1088545
N-(4-{[(3-pyridinylmethyl)amino]sulfonyl}phenyl)acetamide
CID 538491
2-(pyridin-2-ylsulfanyl)-N-(4-sulfamoylphenyl)acetamide
CID 647669
6-Benzenesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicotinamide
CID 9969483
N-(4-Fluoro-phenyl)-1-oxy-6-phenylmethanesulfonyl-nicotinamide
CID 10200147

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (CID 70978270) is (E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of (E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is MMNMOBJXKFGIQU-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c21-16-4-1-5-19(13-16)27(25,26)18-9-7-17(8-10-18)23-20(24)11-6-15-3-2-12-22-14-15/h1-14H,(H,23,24)/b11-6+.
What are the key properties of (E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 382.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3-fluorophenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 70978270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).