1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide

C7H8N2O2S — CID 69059282

IUPAC1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCN1C2=CC=CCC2=NS1(=O)=O
InChIInChI=1S/C7H8N2O2S/c1-9-7-5-3-2-4-6(7)8-12(9,10)11/h2-3,5H,4H2,1H3
InChIKeyACLZDTBSDMNKNT-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.46
Rot. Bonds

About 1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide

1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 69059282) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID69059282
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCN1C2=CC=CCC2=NS1(=O)=O
InChIInChI=1S/C7H8N2O2S/c1-9-7-5-3-2-4-6(7)8-12(9,10)11/h2-3,5H,4H2,1H3
InChIKeyACLZDTBSDMNKNT-UHFFFAOYSA-N
XLogP0.46
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 69059282) is 1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide is CN1C2=CC=CCC2=NS1(=O)=O.
What is the InChIKey of 1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is ACLZDTBSDMNKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-9-7-5-3-2-4-6(7)8-12(9,10)11/h2-3,5H,4H2,1H3.
What are the key properties of 1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 184.22 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 69059282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).