6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H10Cl2N2O2S2 — CID 53239039

IUPAC6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)SC1=NS(=O)(=O)c2cc(Cl)c(Cl)cc2N1
InChIInChI=1S/C10H10Cl2N2O2S2/c1-5(2)17-10-13-8-3-6(11)7(12)4-9(8)18(15,16)14-10/h3-5H,1-2H3,(H,13,14)
InChIKeyIUFCNHAOXMLYII-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.61
Rot. Bonds1

About 6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 53239039) has the molecular formula C10H10Cl2N2O2S2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID53239039
Molecular FormulaC10H10Cl2N2O2S2
Molecular Weight325.24 g/mol
Exact Mass323.96
IUPAC Name6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)SC1=NS(=O)(=O)c2cc(Cl)c(Cl)cc2N1
InChIInChI=1S/C10H10Cl2N2O2S2/c1-5(2)17-10-13-8-3-6(11)7(12)4-9(8)18(15,16)14-10/h3-5H,1-2H3,(H,13,14)
InChIKeyIUFCNHAOXMLYII-UHFFFAOYSA-N
XLogP3.61
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dichloro-3-propan-2-ylsulfanyl-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 6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 53239039) is 6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CC(C)SC1=NS(=O)(=O)c2cc(Cl)c(Cl)cc2N1.
What is the InChIKey of 6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is IUFCNHAOXMLYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2S2/c1-5(2)17-10-13-8-3-6(11)7(12)4-9(8)18(15,16)14-10/h3-5H,1-2H3,(H,13,14).
What are the key properties of 6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 325.24 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-propan-2-ylsulfanyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 53239039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).