7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H11BrN2O3S — CID 53238807

IUPAC7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)OC1=NS(=O)(=O)c2cc(Br)ccc2N1
InChIInChI=1S/C10H11BrN2O3S/c1-6(2)16-10-12-8-4-3-7(11)5-9(8)17(14,15)13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyIHVAQMLPQZYBRR-UHFFFAOYSA-N
MW319.18 g/mol
LogP2.34
Rot. Bonds1

About 7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 53238807) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID53238807
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)OC1=NS(=O)(=O)c2cc(Br)ccc2N1
InChIInChI=1S/C10H11BrN2O3S/c1-6(2)16-10-12-8-4-3-7(11)5-9(8)17(14,15)13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyIHVAQMLPQZYBRR-UHFFFAOYSA-N
XLogP2.34
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-ethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135471767
7-bromo-3-methyl-4H-1lambda6,2,4-benzothiadiazine-1,1-dione
CID 23273968
7-bromo-N-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135404720
7-bromo-1,1-dioxo-N-propyl-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135490095
7-bromo-3-propan-2-ylsulfanyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 53239035
3-propan-2-yloxy-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 53238584
7-fluoro-3-propan-2-yloxy-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 53238585
7-bromo-3-(2-methylpropyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 53239270
7-bromo-3-propyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 56693230
7-bromo-3-cyclopropyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 135016600
7-bromo-3-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16663867
7-Bromo-3-(methylthio)-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 10881351

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 53238807) is 7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CC(C)OC1=NS(=O)(=O)c2cc(Br)ccc2N1.
What is the InChIKey of 7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is IHVAQMLPQZYBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c1-6(2)16-10-12-8-4-3-7(11)5-9(8)17(14,15)13-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 319.18 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 53238807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).