7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

C8H7ClN2O3S — CID 26598995

IUPAC7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCN1C(=O)NS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C8H7ClN2O3S/c1-11-6-3-2-5(9)4-7(6)15(13,14)10-8(11)12/h2-4H,1H3,(H,10,12)
InChIKeyJIJQUHAXUWATKU-UHFFFAOYSA-N
MW246.68 g/mol
LogP1.19
Rot. Bonds

About 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 26598995) has the molecular formula C8H7ClN2O3S and a molecular weight of 246.68 g/mol. Its IUPAC name is 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
PubChem CID26598995
Molecular FormulaC8H7ClN2O3S
Molecular Weight246.68 g/mol
Exact Mass245.99
IUPAC Name7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCN1C(=O)NS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C8H7ClN2O3S/c1-11-6-3-2-5(9)4-7(6)15(13,14)10-8(11)12/h2-4H,1H3,(H,10,12)
InChIKeyJIJQUHAXUWATKU-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.68
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one 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

Idra 21
CID 3688
4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 11615432
5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
CID 10220266
4-[(7-chloro-1,1,3-trioxo-4H-1lambda6,2,4-benzothiadiazin-2-yl)methyl]-N-cycloheptyl-N-methylpiperidine-1-carboxamide
CID 70691963
7-chloro-4-(2-fluoroethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 11161396
7-chloro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
CID 10331524
7-Chloro-4-cyclopropyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 67530520
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
Tocris-1219
CID 6604830
7-Chloro-4-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16732325
7-Chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 45105048

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (CID 26598995) is 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is CN1C(=O)NS(=O)(=O)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is JIJQUHAXUWATKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3S/c1-11-6-3-2-5(9)4-7(6)15(13,14)10-8(11)12/h2-4H,1H3,(H,10,12).
What are the key properties of 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 246.68 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 26598995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).