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

C9H11ClN2O2S — CID 68698970

IUPAC7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide
SMILESCCC1NNS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C9H11ClN2O2S/c1-2-8-7-4-3-6(10)5-9(7)15(13,14)12-11-8/h3-5,8,11-12H,2H2,1H3
InChIKeyKDOMCPGWIMJWBG-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.59
Rot. Bonds1

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

7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide (PubChem CID 68698970) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide
PubChem CID68698970
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide
SMILESCCC1NNS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C9H11ClN2O2S/c1-2-8-7-4-3-6(10)5-9(7)15(13,14)12-11-8/h3-5,8,11-12H,2H2,1H3
InChIKeyKDOMCPGWIMJWBG-UHFFFAOYSA-N
XLogP1.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide (CID 68698970) is 7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide is CCC1NNS(=O)(=O)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The InChIKey is KDOMCPGWIMJWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-2-8-7-4-3-6(10)5-9(7)15(13,14)12-11-8/h3-5,8,11-12H,2H2,1H3.
What are the key properties of 7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide?
7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide has a molecular weight of 246.72 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-ethyl-3,4-dihydro-2H-1λ6,2,3-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 68698970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).