6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

C7H5ClN2O2S — CID 14625154

IUPAC6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CNc2cc(Cl)ccc21
InChIInChI=1S/C7H5ClN2O2S/c8-5-1-2-7-6(3-5)9-4-10-13(7,11)12/h1-4H,(H,9,10)
InChIKeyRKBHBLIDIXHWDL-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.48
Rot. Bonds

About 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 14625154) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID14625154
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CNc2cc(Cl)ccc21
InChIInChI=1S/C7H5ClN2O2S/c8-5-1-2-7-6(3-5)9-4-10-13(7,11)12/h1-4H,(H,9,10)
InChIKeyRKBHBLIDIXHWDL-UHFFFAOYSA-N
XLogP1.48
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide (CID 14625154) is 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CNc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is RKBHBLIDIXHWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-5-1-2-7-6(3-5)9-4-10-13(7,11)12/h1-4H,(H,9,10).
What are the key properties of 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 216.65 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 14625154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).