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

C9H10N2O2S — CID 16732322

IUPAC4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)N=CN2C
InChIInChI=1S/C9H10N2O2S/c1-7-3-4-8-9(5-7)14(12,13)10-6-11(8)2/h3-6H,1-2H3
InChIKeySAZACMKKCSJZDZ-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.16
Rot. Bonds

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

4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 16732322) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID16732322
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)N=CN2C
InChIInChI=1S/C9H10N2O2S/c1-7-3-4-8-9(5-7)14(12,13)10-6-11(8)2/h3-6H,1-2H3
InChIKeySAZACMKKCSJZDZ-UHFFFAOYSA-N
XLogP1.16
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 16732322) is 4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1ccc2c(c1)S(=O)(=O)N=CN2C.
What is the InChIKey of 4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is SAZACMKKCSJZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-7-3-4-8-9(5-7)14(12,13)10-6-11(8)2/h3-6H,1-2H3.
What are the key properties of 4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 210.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 16732322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).