(E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide

C15H13NO4S — CID 949427

IUPAC(E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO4S/c17-21(18,9-8-12-4-2-1-3-5-12)16-13-6-7-14-15(10-13)20-11-19-14/h1-10,16H,11H2/b9-8+
InChIKeyVSCDCIHCVPJIKO-CMDGGOBGSA-N
MW303.34 g/mol
LogP2.83
Rot. Bonds4

About (E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide

(E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide (PubChem CID 949427) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is (E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
PubChem CID949427
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name(E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO4S/c17-21(18,9-8-12-4-2-1-3-5-12)16-13-6-7-14-15(10-13)20-11-19-14/h1-10,16H,11H2/b9-8+
InChIKeyVSCDCIHCVPJIKO-CMDGGOBGSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide (CID 949427) is (E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide?
The InChIKey is VSCDCIHCVPJIKO-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-21(18,9-8-12-4-2-1-3-5-12)16-13-6-7-14-15(10-13)20-11-19-14/h1-10,16H,11H2/b9-8+.
What are the key properties of (E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide?
(E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 949427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).