(E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide

C20H16N2O3S — CID 73350708

IUPAC(E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3S/c23-20(13-8-16-5-4-14-21-15-16)22-17-9-11-19(12-10-17)26(24,25)18-6-2-1-3-7-18/h1-15H,(H,22,23)/b13-8+
InChIKeyRIGDHZDQFISNAD-MDWZMJQESA-N
MW364.43 g/mol
LogP3.57
Rot. Bonds5

About (E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 73350708) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is (E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID73350708
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name(E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3S/c23-20(13-8-16-5-4-14-21-15-16)22-17-9-11-19(12-10-17)26(24,25)18-6-2-1-3-7-18/h1-15H,(H,22,23)/b13-8+
InChIKeyRIGDHZDQFISNAD-MDWZMJQESA-N
XLogP3.57
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.57
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

1-[(6-Aminopyridin-3-Yl)methyl]-3-[4-(Phenylsulfonyl)phenyl]urea
CID 66610926
(1s,2s)-N-[4-(Phenylsulfonyl)phenyl]-2-(Pyridin-3-Yl)cyclopropanecarboxamide
CID 71720911
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
Sulfonamide deriv., 7h
CID 44520904
(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-{[(3-pyridinylmethyl)amino]sulfonyl}phenyl)acetamide
CID 538491
2-(pyridin-2-ylsulfanyl)-N-(4-sulfamoylphenyl)acetamide
CID 647669
N-[4-({[2-(2-pyridinylthio)ethyl]amino}sulfonyl)phenyl]acetamide
CID 2267185
N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2316496

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide (CID 73350708) is (E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is RIGDHZDQFISNAD-MDWZMJQESA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-20(13-8-16-5-4-14-21-15-16)22-17-9-11-19(12-10-17)26(24,25)18-6-2-1-3-7-18/h1-15H,(H,22,23)/b13-8+.
What are the key properties of (E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 364.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 73350708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).