(E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one

C19H19NO4S — CID 171348850

IUPAC(E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H19NO4S/c21-19(17-6-2-1-3-7-17)10-9-16-5-4-8-18(15-16)25(22,23)20-11-13-24-14-12-20/h1-10,15H,11-14H2/b10-9+
InChIKeyNOFSHNMRMLSEBM-MDZDMXLPSA-N
MW357.43 g/mol
LogP2.60
Rot. Bonds5

About (E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one

(E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one (PubChem CID 171348850) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is (E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one
PubChem CID171348850
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name(E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H19NO4S/c21-19(17-6-2-1-3-7-17)10-9-16-5-4-8-18(15-16)25(22,23)20-11-13-24-14-12-20/h1-10,15H,11-14H2/b10-9+
InChIKeyNOFSHNMRMLSEBM-MDZDMXLPSA-N
XLogP2.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
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)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one (CID 171348850) is (E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one is O=C(/C=C/c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of (E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is NOFSHNMRMLSEBM-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-19(17-6-2-1-3-7-17)10-9-16-5-4-8-18(15-16)25(22,23)20-11-13-24-14-12-20/h1-10,15H,11-14H2/b10-9+.
What are the key properties of (E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one?
(E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 357.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 171348850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).