(E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide

C15H13NO3S — CID 47108688

IUPAC(E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO3S/c17-15(12-11-13-7-3-1-4-8-13)16-20(18,19)14-9-5-2-6-10-14/h1-12H,(H,16,17)/b12-11+
InChIKeyPPUWBPYNBDOZQY-VAWYXSNFSA-N
MW287.34 g/mol
LogP2.20
Rot. Bonds4

About (E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide

(E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide (PubChem CID 47108688) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is (E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide
PubChem CID47108688
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name(E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO3S/c17-15(12-11-13-7-3-1-4-8-13)16-20(18,19)14-9-5-2-6-10-14/h1-12H,(H,16,17)/b12-11+
InChIKeyPPUWBPYNBDOZQY-VAWYXSNFSA-N
XLogP2.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(benzenesulfonyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide (CID 47108688) is (E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide?
The InChIKey is PPUWBPYNBDOZQY-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-15(12-11-13-7-3-1-4-8-13)16-20(18,19)14-9-5-2-6-10-14/h1-12H,(H,16,17)/b12-11+.
What are the key properties of (E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide?
(E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide has a molecular weight of 287.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzenesulfonyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 47108688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).