2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide

C7H6N2O2S — CID 3294423

IUPAC2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NN=Cc2ccccc21
InChIInChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)5-8-9-12/h1-5,9H
InChIKeyUOCUSOBVEHOMMB-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.31
Rot. Bonds

About 2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide

2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide (PubChem CID 3294423) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide
PubChem CID3294423
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NN=Cc2ccccc21
InChIInChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)5-8-9-12/h1-5,9H
InChIKeyUOCUSOBVEHOMMB-UHFFFAOYSA-N
XLogP0.31
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide?
The IUPAC name of 2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide (CID 3294423) is 2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide is O=S1(=O)NN=Cc2ccccc21.
What is the InChIKey of 2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide?
The InChIKey is UOCUSOBVEHOMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)5-8-9-12/h1-5,9H.
What are the key properties of 2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide?
2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide has a molecular weight of 182.20 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1lambda6,2,3-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 3294423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).