6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one

C15H14N2O4S — CID 19872578

IUPAC6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one
SMILESCOc1ccc2c(c1)N(C)C(=O)N(c1ccccc1)S2(=O)=O
InChIInChI=1S/C15H14N2O4S/c1-16-13-10-12(21-2)8-9-14(13)22(19,20)17(15(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyFDXXHDNZVRHJRF-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.46
Rot. Bonds2

About 6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one

6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 19872578) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one
PubChem CID19872578
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one
SMILESCOc1ccc2c(c1)N(C)C(=O)N(c1ccccc1)S2(=O)=O
InChIInChI=1S/C15H14N2O4S/c1-16-13-10-12(21-2)8-9-14(13)22(19,20)17(15(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyFDXXHDNZVRHJRF-UHFFFAOYSA-N
XLogP2.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-4-methyl-1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1λ6,2,4-benzothiadiazin-3-one
CID 19872468
methyl 2-[4-(6-methoxy-4-methyl-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-2-yl)phenyl]acetate
CID 19834943
2-[[2-(3-chlorophenyl)-4-methyl-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-6-yl]oxy]acetic acid
CID 70417136
2-butyl-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 139664353
4-benzyl-2-(3-methoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 7246399
4-[(4-ethenylphenyl)methyl]-2-(3-methoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 46369333
2-(3-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 18590232
4-[(2,6-dimethylphenyl)methyl]-2-(4-methoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 90021655
4-[(3-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 46369395
3-butyl-7-methoxy-2-methyl-5-phenyl-3,4-dihydro-1λ6,2,5-benzothiadiazepine 1,1-dioxide
CID 175983628
2-(4-ethylphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 18590474
2-[2-(3-methoxyphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 16832218

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one (CID 19872578) is 6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one is COc1ccc2c(c1)N(C)C(=O)N(c1ccccc1)S2(=O)=O.
What is the InChIKey of 6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is FDXXHDNZVRHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-16-13-10-12(21-2)8-9-14(13)22(19,20)17(15(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one?
6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 318.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 19872578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).