6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C8H7ClN2O2S2 — CID 12526598

IUPAC6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCSC1=NS(=O)(=O)c2ccc(Cl)cc2N1
InChIInChI=1S/C8H7ClN2O2S2/c1-14-8-10-6-4-5(9)2-3-7(6)15(12,13)11-8/h2-4H,1H3,(H,10,11)
InChIKeySAJAWXRAMHIGGB-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.17
Rot. Bonds

About 6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 12526598) has the molecular formula C8H7ClN2O2S2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID12526598
Molecular FormulaC8H7ClN2O2S2
Molecular Weight262.74 g/mol
Exact Mass261.96
IUPAC Name6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCSC1=NS(=O)(=O)c2ccc(Cl)cc2N1
InChIInChI=1S/C8H7ClN2O2S2/c1-14-8-10-6-4-5(9)2-3-7(6)15(12,13)11-8/h2-4H,1H3,(H,10,11)
InChIKeySAJAWXRAMHIGGB-UHFFFAOYSA-N
XLogP2.17
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-methylsulfanyl-4H-1λ6,2,4-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-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 12526598) is 6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CSC1=NS(=O)(=O)c2ccc(Cl)cc2N1.
What is the InChIKey of 6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is SAJAWXRAMHIGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S2/c1-14-8-10-6-4-5(9)2-3-7(6)15(12,13)11-8/h2-4H,1H3,(H,10,11).
What are the key properties of 6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 262.74 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 12526598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).