3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C14H11BrN2O3S — CID 132591524

IUPAC3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCOc1ccc(Br)cc1C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C14H11BrN2O3S/c1-20-12-7-6-9(15)8-10(12)14-16-11-4-2-3-5-13(11)21(18,19)17-14/h2-8H,1H3,(H,16,17)
InChIKeyGMGHBPSMVWIBAB-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.02
Rot. Bonds2

About 3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 132591524) has the molecular formula C14H11BrN2O3S and a molecular weight of 367.22 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID132591524
Molecular FormulaC14H11BrN2O3S
Molecular Weight367.22 g/mol
Exact Mass365.97
IUPAC Name3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCOc1ccc(Br)cc1C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C14H11BrN2O3S/c1-20-12-7-6-9(15)8-10(12)14-16-11-4-2-3-5-13(11)21(18,19)17-14/h2-8H,1H3,(H,16,17)
InChIKeyGMGHBPSMVWIBAB-UHFFFAOYSA-N
XLogP3.02
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 177307913
N-(2,4-dimethoxyphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 22588771
3-(trideuteriomethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 169443474
3-[(4-bromophenyl)methylsulfanyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 22584887
3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione
CID 54300547
5-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,3-diethylbenzimidazol-2-one
CID 92589778
3-(2,2-dimethoxyethylsulfanyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 82213817
7-bromo-3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 56693230
4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82308864
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-6-hexylchromen-2-one
CID 134911897
5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
CID 24946892
butyl 4-[5-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)furan-2-yl]benzoate
CID 132590900

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 132591524) is 3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is COc1ccc(Br)cc1C1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is GMGHBPSMVWIBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3S/c1-20-12-7-6-9(15)8-10(12)14-16-11-4-2-3-5-13(11)21(18,19)17-14/h2-8H,1H3,(H,16,17).
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 367.22 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 132591524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).