4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide

C8H10N2O2S — CID 89199697

IUPAC4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCc1cc(C)c2c(c1)NS(=O)(=O)N2
InChIInChI=1S/C8H10N2O2S/c1-5-3-6(2)8-7(4-5)9-13(11,12)10-8/h3-4,9-10H,1-2H3
InChIKeyVBKZZXDZXYZNAK-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.39
Rot. Bonds

About 4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide

4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 89199697) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID89199697
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCc1cc(C)c2c(c1)NS(=O)(=O)N2
InChIInChI=1S/C8H10N2O2S/c1-5-3-6(2)8-7(4-5)9-13(11,12)10-8/h3-4,9-10H,1-2H3
InChIKeyVBKZZXDZXYZNAK-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 89199697) is 4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide is Cc1cc(C)c2c(c1)NS(=O)(=O)N2.
What is the InChIKey of 4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is VBKZZXDZXYZNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-5-3-6(2)8-7(4-5)9-13(11,12)10-8/h3-4,9-10H,1-2H3.
What are the key properties of 4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide?
4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 198.25 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 89199697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).