(E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide

C17H15N3O3S — CID 75533186

IUPAC(E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide
SMILESCc1cc(-c2nnco2)ccc1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-13-11-15(17-19-18-12-23-17)7-8-16(13)20-24(21,22)10-9-14-5-3-2-4-6-14/h2-12,20H,1H3/b10-9+
InChIKeyXWGFNFZYHQQETM-MDZDMXLPSA-N
MW341.39 g/mol
LogP3.46
Rot. Bonds5

About (E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide

(E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide (PubChem CID 75533186) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is (E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide
PubChem CID75533186
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name(E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide
SMILESCc1cc(-c2nnco2)ccc1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-13-11-15(17-19-18-12-23-17)7-8-16(13)20-24(21,22)10-9-14-5-3-2-4-6-14/h2-12,20H,1H3/b10-9+
InChIKeyXWGFNFZYHQQETM-MDZDMXLPSA-N
XLogP3.46
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide (CID 75533186) is (E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide is Cc1cc(-c2nnco2)ccc1NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide?
The InChIKey is XWGFNFZYHQQETM-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-13-11-15(17-19-18-12-23-17)7-8-16(13)20-24(21,22)10-9-14-5-3-2-4-6-14/h2-12,20H,1H3/b10-9+.
What are the key properties of (E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide?
(E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 75533186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).