5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C8H7ClN2O2S — CID 23273941

IUPAC5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cccc(Cl)c2N1
InChIInChI=1S/C8H7ClN2O2S/c1-5-10-8-6(9)3-2-4-7(8)14(12,13)11-5/h2-4H,1H3,(H,10,11)
InChIKeyRTODZWQEQHFRAB-UHFFFAOYSA-N
MW230.68 g/mol
LogP1.87
Rot. Bonds

About 5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 23273941) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is 5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID23273941
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC Name5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cccc(Cl)c2N1
InChIInChI=1S/C8H7ClN2O2S/c1-5-10-8-6(9)3-2-4-7(8)14(12,13)11-5/h2-4H,1H3,(H,10,11)
InChIKeyRTODZWQEQHFRAB-UHFFFAOYSA-N
XLogP1.87
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 23273941) is 5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CC1=NS(=O)(=O)c2cccc(Cl)c2N1.
What is the InChIKey of 5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is RTODZWQEQHFRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c1-5-10-8-6(9)3-2-4-7(8)14(12,13)11-5/h2-4H,1H3,(H,10,11).
What are the key properties of 5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 230.68 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 23273941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).