6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

C15H12Cl2N2O4S — CID 68662679

IUPAC6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCOc1ccccc1CN1C(=O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O
InChIInChI=1S/C15H12Cl2N2O4S/c1-23-13-5-3-2-4-9(13)8-19-15(20)18-12-7-10(16)6-11(17)14(12)24(19,21)22/h2-7H,8H2,1H3,(H,18,20)
InChIKeyXOBCFLJLDWSTEM-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.74
Rot. Bonds3

About 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 68662679) has the molecular formula C15H12Cl2N2O4S and a molecular weight of 387.24 g/mol. Its IUPAC name is 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
PubChem CID68662679
Molecular FormulaC15H12Cl2N2O4S
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCOc1ccccc1CN1C(=O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O
InChIInChI=1S/C15H12Cl2N2O4S/c1-23-13-5-3-2-4-9(13)8-19-15(20)18-12-7-10(16)6-11(17)14(12)24(19,21)22/h2-7H,8H2,1H3,(H,18,20)
InChIKeyXOBCFLJLDWSTEM-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one with MolForge

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Related Compounds

4-benzyl-6,8-dichloro-2-(2-methoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 68662469
3-[(5-chloro-2-methoxyphenyl)methyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 18090962
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38149207
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
2-[(5-fluoro-2-methoxyphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 8708928
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 78236637
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208325
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
3'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166179070

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (CID 68662679) is 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is COc1ccccc1CN1C(=O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O.
What is the InChIKey of 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is XOBCFLJLDWSTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S/c1-23-13-5-3-2-4-9(13)8-19-15(20)18-12-7-10(16)6-11(17)14(12)24(19,21)22/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 387.24 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-[(2-methoxyphenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 68662679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).