3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C15H12N2O2S — CID 6288420

IUPAC3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(/C=C/c2ccccc2)Nc2ccccc21
InChIInChI=1S/C15H12N2O2S/c18-20(19)14-9-5-4-8-13(14)16-15(17-20)11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)/b11-10+
InChIKeyHDEOMXJXOCDQIU-ZHACJKMWSA-N
MW284.34 g/mol
LogP2.91
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 6288420) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID6288420
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(/C=C/c2ccccc2)Nc2ccccc21
InChIInChI=1S/C15H12N2O2S/c18-20(19)14-9-5-4-8-13(14)16-15(17-20)11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)/b11-10+
InChIKeyHDEOMXJXOCDQIU-ZHACJKMWSA-N
XLogP2.91
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 6288420) is 3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=C(/C=C/c2ccccc2)Nc2ccccc21.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is HDEOMXJXOCDQIU-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-20(19)14-9-5-4-8-13(14)16-15(17-20)11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)/b11-10+.
What are the key properties of 3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 284.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 6288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).