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

C9H12N2O2S — CID 16732617

IUPAC4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)NCN2C
InChIInChI=1S/C9H12N2O2S/c1-7-3-4-8-9(5-7)14(12,13)10-6-11(8)2/h3-5,10H,6H2,1-2H3
InChIKeyZHFVESDBKCGUIB-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.68
Rot. Bonds

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

4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 16732617) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID16732617
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)NCN2C
InChIInChI=1S/C9H12N2O2S/c1-7-3-4-8-9(5-7)14(12,13)10-6-11(8)2/h3-5,10H,6H2,1-2H3
InChIKeyZHFVESDBKCGUIB-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 11615432
Caldaret
CID 6433076
2H-1,2,4-Benzothiadiazine, 3,4-dihydro-, 1,1-dioxide
CID 120220
5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
CID 82080973
4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 16732615
2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-methyl-, 1,1-dioxide
CID 10081897
5-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 12528487
4-Cyclopropyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 67530213
4-Cyclopropyl-1,1-dioxo-2,3-dihydro-1lambda6,2,4-benzothiadiazine-7-carbonitrile
CID 67530629
1,2,3,4-Tetrahydro-3-methyl-8-quinolinesulfonamide
CID 42959251
N-Ethyl-3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinazoline-6-Sulfonamide
CID 66553124
7-Fluoro-4-(2-fluoroethyl)-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 45103609

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 16732617) is 4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1ccc2c(c1)S(=O)(=O)NCN2C.
What is the InChIKey of 4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is ZHFVESDBKCGUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-7-3-4-8-9(5-7)14(12,13)10-6-11(8)2/h3-5,10H,6H2,1-2H3.
What are the key properties of 4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 212.27 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 16732617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).