1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide

C8H8N2O2S — CID 67109314

IUPAC1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide
SMILESO=S1(=O)Cc2ccccc2C=NN1
InChIInChI=1S/C8H8N2O2S/c11-13(12)6-8-4-2-1-3-7(8)5-9-10-13/h1-5,10H,6H2
InChIKeyIFESNUKDGXXMLC-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.45
Rot. Bonds

About 1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide

1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide (PubChem CID 67109314) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide.

Molecular Properties

Compound Name1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide
PubChem CID67109314
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide
SMILESO=S1(=O)Cc2ccccc2C=NN1
InChIInChI=1S/C8H8N2O2S/c11-13(12)6-8-4-2-1-3-7(8)5-9-10-13/h1-5,10H,6H2
InChIKeyIFESNUKDGXXMLC-UHFFFAOYSA-N
XLogP0.45
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide?
The IUPAC name of 1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide (CID 67109314) is 1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide.
What is the SMILES notation for 1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide?
The canonical SMILES for 1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide is O=S1(=O)Cc2ccccc2C=NN1.
What is the InChIKey of 1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide?
The InChIKey is IFESNUKDGXXMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-13(12)6-8-4-2-1-3-7(8)5-9-10-13/h1-5,10H,6H2.
What are the key properties of 1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide?
1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide has a molecular weight of 196.23 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2λ6,3,4-benzothiadiazepine 2,2-dioxide is sourced from PubChem (CID 67109314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).