7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C9H9ClN2O2S — CID 23274161

IUPAC7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCC1=NS(=O)(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C9H9ClN2O2S/c1-2-9-11-7-4-3-6(10)5-8(7)15(13,14)12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyTYLDGLIBXIXDBH-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.26
Rot. Bonds1

About 7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 23274161) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is 7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID23274161
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC Name7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCC1=NS(=O)(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C9H9ClN2O2S/c1-2-9-11-7-4-3-6(10)5-8(7)15(13,14)12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyTYLDGLIBXIXDBH-UHFFFAOYSA-N
XLogP2.26
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 23274161) is 7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCC1=NS(=O)(=O)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is TYLDGLIBXIXDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c1-2-9-11-7-4-3-6(10)5-8(7)15(13,14)12-9/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 244.70 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 23274161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).