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

C7H8N2O2S — CID 23517142

IUPAC3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCN1c2ccccc2NS1(=O)=O
InChIInChI=1S/C7H8N2O2S/c1-9-7-5-3-2-4-6(7)8-12(9,10)11/h2-5,8H,1H3
InChIKeyQBMJWJJDVZNBTE-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.79
Rot. Bonds

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

3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 23517142) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID23517142
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCN1c2ccccc2NS1(=O)=O
InChIInChI=1S/C7H8N2O2S/c1-9-7-5-3-2-4-6(7)8-12(9,10)11/h2-5,8H,1H3
InChIKeyQBMJWJJDVZNBTE-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 23517142) is 3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide is CN1c2ccccc2NS1(=O)=O.
What is the InChIKey of 3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is QBMJWJJDVZNBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-9-7-5-3-2-4-6(7)8-12(9,10)11/h2-5,8H,1H3.
What are the key properties of 3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 184.22 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 23517142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).