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

C10H9BrN2O2S — CID 135016600

IUPAC7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(C2CC2)Nc2ccc(Br)cc21
InChIInChI=1S/C10H9BrN2O2S/c11-7-3-4-8-9(5-7)16(14,15)13-10(12-8)6-1-2-6/h3-6H,1-2H2,(H,12,13)
InChIKeyAURJYWZXFBEZHT-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.37
Rot. Bonds1

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

7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 135016600) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID135016600
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(C2CC2)Nc2ccc(Br)cc21
InChIInChI=1S/C10H9BrN2O2S/c11-7-3-4-8-9(5-7)16(14,15)13-10(12-8)6-1-2-6/h3-6H,1-2H2,(H,12,13)
InChIKeyAURJYWZXFBEZHT-UHFFFAOYSA-N
XLogP2.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 135016600) is 7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=C(C2CC2)Nc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is AURJYWZXFBEZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c11-7-3-4-8-9(5-7)16(14,15)13-10(12-8)6-1-2-6/h3-6H,1-2H2,(H,12,13).
What are the key properties of 7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 301.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-cyclopropyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 135016600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).