3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C17H14N4O2S — CID 92575020

IUPAC3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(c2cnn(Cc3ccccc3)c2)Nc2ccccc21
InChIInChI=1S/C17H14N4O2S/c22-24(23)16-9-5-4-8-15(16)19-17(20-24)14-10-18-21(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,19,20)
InChIKeyVCQWSGAMUYHLGM-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.49
Rot. Bonds3

About 3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 92575020) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID92575020
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(c2cnn(Cc3ccccc3)c2)Nc2ccccc21
InChIInChI=1S/C17H14N4O2S/c22-24(23)16-9-5-4-8-15(16)19-17(20-24)14-10-18-21(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,19,20)
InChIKeyVCQWSGAMUYHLGM-UHFFFAOYSA-N
XLogP2.49
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-benzylpyrazol-4-yl)-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 3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 92575020) is 3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=C(c2cnn(Cc3ccccc3)c2)Nc2ccccc21.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is VCQWSGAMUYHLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c22-24(23)16-9-5-4-8-15(16)19-17(20-24)14-10-18-21(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,19,20).
What are the key properties of 3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 338.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 92575020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).