3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide

C16H13NO2S — CID 169095129

IUPAC3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide
SMILESCc1cccc(/C=C\C2=NS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C16H13NO2S/c1-12-5-4-6-13(11-12)9-10-15-14-7-2-3-8-16(14)20(18,19)17-15/h2-11H,1H3/b10-9-
InChIKeyUOOFMUJZSOYNSY-KTKRTIGZSA-N
MW283.35 g/mol
LogP3.20
Rot. Bonds2

About 3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide

3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide (PubChem CID 169095129) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide
PubChem CID169095129
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide
SMILESCc1cccc(/C=C\C2=NS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C16H13NO2S/c1-12-5-4-6-13(11-12)9-10-15-14-7-2-3-8-16(14)20(18,19)17-15/h2-11H,1H3/b10-9-
InChIKeyUOOFMUJZSOYNSY-KTKRTIGZSA-N
XLogP3.20
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide (CID 169095129) is 3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide is Cc1cccc(/C=C\C2=NS(=O)(=O)c3ccccc32)c1.
What is the InChIKey of 3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide?
The InChIKey is UOOFMUJZSOYNSY-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-12-5-4-6-13(11-12)9-10-15-14-7-2-3-8-16(14)20(18,19)17-15/h2-11H,1H3/b10-9-.
What are the key properties of 3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide?
3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide has a molecular weight of 283.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(3-methylphenyl)ethenyl]-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 169095129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).