6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C9H9ClN2O3S — CID 23274426

IUPAC6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCOCC1=NS(=O)(=O)c2ccc(Cl)cc2N1
InChIInChI=1S/C9H9ClN2O3S/c1-15-5-9-11-7-4-6(10)2-3-8(7)16(13,14)12-9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyIVDKBGKQVMUDOA-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.50
Rot. Bonds2

About 6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 23274426) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is 6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID23274426
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCOCC1=NS(=O)(=O)c2ccc(Cl)cc2N1
InChIInChI=1S/C9H9ClN2O3S/c1-15-5-9-11-7-4-6(10)2-3-8(7)16(13,14)12-9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyIVDKBGKQVMUDOA-UHFFFAOYSA-N
XLogP1.50
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 23274426) is 6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is COCC1=NS(=O)(=O)c2ccc(Cl)cc2N1.
What is the InChIKey of 6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is IVDKBGKQVMUDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c1-15-5-9-11-7-4-6(10)2-3-8(7)16(13,14)12-9/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 260.70 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(methoxymethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 23274426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).