7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide

C9H10N2O3S — CID 91450855

IUPAC7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide
SMILESC=C1NNS(=O)(=O)c2cc(OC)ccc21
InChIInChI=1S/C9H10N2O3S/c1-6-8-4-3-7(14-2)5-9(8)15(12,13)11-10-6/h3-5,10-11H,1H2,2H3
InChIKeyMBZJFFNSCCDKGS-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.46
Rot. Bonds1

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

7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide (PubChem CID 91450855) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide
PubChem CID91450855
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide
SMILESC=C1NNS(=O)(=O)c2cc(OC)ccc21
InChIInChI=1S/C9H10N2O3S/c1-6-8-4-3-7(14-2)5-9(8)15(12,13)11-10-6/h3-5,10-11H,1H2,2H3
InChIKeyMBZJFFNSCCDKGS-UHFFFAOYSA-N
XLogP0.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide (CID 91450855) is 7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide is C=C1NNS(=O)(=O)c2cc(OC)ccc21.
What is the InChIKey of 7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The InChIKey is MBZJFFNSCCDKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-6-8-4-3-7(14-2)5-9(8)15(12,13)11-10-6/h3-5,10-11H,1H2,2H3.
What are the key properties of 7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide?
7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide has a molecular weight of 226.26 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methylidene-2,3-dihydro-1λ6,2,3-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 91450855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).