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

C20H17N3O3S — CID 87045405

IUPAC(E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H17N3O3S/c24-20(13-12-16-7-4-5-14-21-16)22-17-8-6-9-18(15-17)23-27(25,26)19-10-2-1-3-11-19/h1-15,23H,(H,22,24)/b13-12+
InChIKeyHWJSFDJXEWMVST-OUKQBFOZSA-N
MW379.44 g/mol
LogP3.53
Rot. Bonds6

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

(E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide (PubChem CID 87045405) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is (E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide
PubChem CID87045405
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name(E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H17N3O3S/c24-20(13-12-16-7-4-5-14-21-16)22-17-8-6-9-18(15-17)23-27(25,26)19-10-2-1-3-11-19/h1-15,23H,(H,22,24)/b13-12+
InChIKeyHWJSFDJXEWMVST-OUKQBFOZSA-N
XLogP3.53
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide (CID 87045405) is (E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccccn1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of (E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide?
The InChIKey is HWJSFDJXEWMVST-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-20(13-12-16-7-4-5-14-21-16)22-17-8-6-9-18(15-17)23-27(25,26)19-10-2-1-3-11-19/h1-15,23H,(H,22,24)/b13-12+.
What are the key properties of (E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide?
(E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide has a molecular weight of 379.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 87045405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).