7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C8H9ClN2O2S — CID 16732325

IUPAC7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCN1CNS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C8H9ClN2O2S/c1-11-5-10-14(12,13)8-4-6(9)2-3-7(8)11/h2-4,10H,5H2,1H3
InChIKeyZYKGZDZLNKSEGX-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.03
Rot. Bonds

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

7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 16732325) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID16732325
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCN1CNS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C8H9ClN2O2S/c1-11-5-10-14(12,13)8-4-6(9)2-3-7(8)11/h2-4,10H,5H2,1H3
InChIKeyZYKGZDZLNKSEGX-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 16732325) is 7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is CN1CNS(=O)(=O)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is ZYKGZDZLNKSEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-11-5-10-14(12,13)8-4-6(9)2-3-7(8)11/h2-4,10H,5H2,1H3.
What are the key properties of 7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 232.69 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 16732325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).