3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C7H8N2O2S — CID 174791070

IUPAC3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN=C2C=CCC=C21
InChIInChI=1S/C7H8N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1,3-4,9H,2,5H2
InChIKeyWNFIQNSNVCYJHE-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.16
Rot. Bonds

About 3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 174791070) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID174791070
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN=C2C=CCC=C21
InChIInChI=1S/C7H8N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1,3-4,9H,2,5H2
InChIKeyWNFIQNSNVCYJHE-UHFFFAOYSA-N
XLogP0.16
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 174791070) is 3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN=C2C=CCC=C21.
What is the InChIKey of 3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is WNFIQNSNVCYJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1,3-4,9H,2,5H2.
What are the key properties of 3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 184.22 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 174791070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).