N-pyrazol-1-ylbenzenesulfonamide

C9H9N3O2S — CID 22315462

IUPACN-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nn1cccn1)c1ccccc1
InChIInChI=1S/C9H9N3O2S/c13-15(14,9-5-2-1-3-6-9)11-12-8-4-7-10-12/h1-8,11H
InChIKeyXXVWMDMWMMRGSG-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.82
Rot. Bonds3

About N-pyrazol-1-ylbenzenesulfonamide

N-pyrazol-1-ylbenzenesulfonamide (PubChem CID 22315462) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is N-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-pyrazol-1-ylbenzenesulfonamide
PubChem CID22315462
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC NameN-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nn1cccn1)c1ccccc1
InChIInChI=1S/C9H9N3O2S/c13-15(14,9-5-2-1-3-6-9)11-12-8-4-7-10-12/h1-8,11H
InChIKeyXXVWMDMWMMRGSG-UHFFFAOYSA-N
XLogP0.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-pyrazol-1-ylbenzenesulfonamide (CID 22315462) is N-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(Nn1cccn1)c1ccccc1.
What is the InChIKey of N-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is XXVWMDMWMMRGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c13-15(14,9-5-2-1-3-6-9)11-12-8-4-7-10-12/h1-8,11H.
What are the key properties of N-pyrazol-1-ylbenzenesulfonamide?
N-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 223.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 22315462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).