4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole

C9H6N4O3S — CID 19683514

IUPAC4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)n1cccn1
InChIInChI=1S/C9H6N4O3S/c14-17(15,13-6-2-5-10-13)8-4-1-3-7-9(8)12-16-11-7/h1-6H
InChIKeyPSXQEJVNDVUWLU-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.66
Rot. Bonds2

About 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole

4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole (PubChem CID 19683514) has the molecular formula C9H6N4O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole
PubChem CID19683514
Molecular FormulaC9H6N4O3S
Molecular Weight250.24 g/mol
Exact Mass250.02
IUPAC Name4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)n1cccn1
InChIInChI=1S/C9H6N4O3S/c14-17(15,13-6-2-5-10-13)8-4-1-3-7-9(8)12-16-11-7/h1-6H
InChIKeyPSXQEJVNDVUWLU-UHFFFAOYSA-N
XLogP0.66
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole 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 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole (CID 19683514) is 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole is O=S(=O)(c1cccc2nonc12)n1cccn1.
What is the InChIKey of 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole?
The InChIKey is PSXQEJVNDVUWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O3S/c14-17(15,13-6-2-5-10-13)8-4-1-3-7-9(8)12-16-11-7/h1-6H.
What are the key properties of 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole?
4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole has a molecular weight of 250.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-ylsulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 19683514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).