2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

C15H14N2O3S — CID 7245956

IUPAC2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESCc1cccc(N2C(=O)Nc3ccccc3S2(=O)=O)c1C
InChIInChI=1S/C15H14N2O3S/c1-10-6-5-8-13(11(10)2)17-15(18)16-12-7-3-4-9-14(12)21(17,19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyASEPYMMCZAWCMM-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.04
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (PubChem CID 7245956) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
PubChem CID7245956
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESCc1cccc(N2C(=O)Nc3ccccc3S2(=O)=O)c1C
InChIInChI=1S/C15H14N2O3S/c1-10-6-5-8-13(11(10)2)17-15(18)16-12-7-3-4-9-14(12)21(17,19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyASEPYMMCZAWCMM-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 7245959
2-(2,3-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 18591959
1,1-dioxo-2-propyl-4H-1λ6,2,4-benzothiadiazin-3-one
CID 82084502
2-(1-ethylpyrazol-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 90054677
2-[2-(dimethylamino)-4-pyridinyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 90054860
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
4-(2,3-dimethylphenyl)piperazine-2,6-dione
CID 63787849
1,1-dioxo-3H-1,3-benzothiazol-2-one;ethane
CID 123564256
1-(2,3-dimethylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598553
2-(3-ethylphenyl)-4-[(2-methylphenyl)methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 22589285
(3aS,4R,7S,7aS)-2-(2,3-dimethylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6550139
1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14500012

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The IUPAC name of 2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (CID 7245956) is 2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is Cc1cccc(N2C(=O)Nc3ccccc3S2(=O)=O)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The InChIKey is ASEPYMMCZAWCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-10-6-5-8-13(11(10)2)17-15(18)16-12-7-3-4-9-14(12)21(17,19)20/h3-9H,1-2H3,(H,16,18).
What are the key properties of 2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one has a molecular weight of 302.36 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 7245956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).