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

C9H11ClN2O2S — CID 16732616

IUPAC7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C9H11ClN2O2S/c1-2-12-6-11-15(13,14)9-5-7(10)3-4-8(9)12/h3-5,11H,2,6H2,1H3
InChIKeyGIJBOCHXNWQHOY-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.42
Rot. Bonds1

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

7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 16732616) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID16732616
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C9H11ClN2O2S/c1-2-12-6-11-15(13,14)9-5-7(10)3-4-8(9)12/h3-5,11H,2,6H2,1H3
InChIKeyGIJBOCHXNWQHOY-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 16732616) is 7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCN1CNS(=O)(=O)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is GIJBOCHXNWQHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-2-12-6-11-15(13,14)9-5-7(10)3-4-8(9)12/h3-5,11H,2,6H2,1H3.
What are the key properties of 7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 246.72 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-ethyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 16732616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).