7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C11H13ClN2O2S — CID 53239269

IUPAC7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)CC1=NS(=O)(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C11H13ClN2O2S/c1-7(2)5-11-13-9-4-3-8(12)6-10(9)17(15,16)14-11/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyGGAMDSBQNCMVFV-UHFFFAOYSA-N
MW272.76 g/mol
LogP2.90
Rot. Bonds2

About 7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 53239269) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID53239269
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)CC1=NS(=O)(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C11H13ClN2O2S/c1-7(2)5-11-13-9-4-3-8(12)6-10(9)17(15,16)14-11/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyGGAMDSBQNCMVFV-UHFFFAOYSA-N
XLogP2.90
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-3-(2-methylpropyl)-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

Related Compounds

Diazoxide
CID 3019
2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide
CID 67760
7-Chloro-3-(1,1-dimethylpropyl)amino-4h-1,2,4-benzothiadiazine-1,1-dioxide
CID 135407182
7-chloro-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135410919
7-chloro-N-ethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135883702
N-butan-2-yl-7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135410313
7-chloro-N-(3-methylbutan-2-yl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135418367
N-tert-butyl-7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135443492
7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide;2-hydroxyethyl(trimethyl)azanium
CID 66625981
2H-1,2,4-Benzothiadiazine, 6,7-dichloro-3-methyl-, 1,1-dioxide
CID 120224
Pazoxide
CID 68550
7-chloro-3-propan-2-yloxy-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 53238586

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 53239269) is 7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CC(C)CC1=NS(=O)(=O)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is GGAMDSBQNCMVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-7(2)5-11-13-9-4-3-8(12)6-10(9)17(15,16)14-11/h3-4,6-7H,5H2,1-2H3,(H,13,14).
What are the key properties of 7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 272.76 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-methylpropyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 53239269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).