2-pyrazol-1-ylbenzenesulfonamide

C9H9N3O2S — CID 13489815

IUPAC2-pyrazol-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C9H9N3O2S/c10-15(13,14)9-5-2-1-4-8(9)12-7-3-6-11-12/h1-7H,(H2,10,13,14)
InChIKeyNKYLSWYWAZBKIO-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.52
Rot. Bonds2

About 2-pyrazol-1-ylbenzenesulfonamide

2-pyrazol-1-ylbenzenesulfonamide (PubChem CID 13489815) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-pyrazol-1-ylbenzenesulfonamide
PubChem CID13489815
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-pyrazol-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C9H9N3O2S/c10-15(13,14)9-5-2-1-4-8(9)12-7-3-6-11-12/h1-7H,(H2,10,13,14)
InChIKeyNKYLSWYWAZBKIO-UHFFFAOYSA-N
XLogP0.52
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of 2-pyrazol-1-ylbenzenesulfonamide (CID 13489815) is 2-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for 2-pyrazol-1-ylbenzenesulfonamide is NS(=O)(=O)c1ccccc1-n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is NKYLSWYWAZBKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c10-15(13,14)9-5-2-1-4-8(9)12-7-3-6-11-12/h1-7H,(H2,10,13,14).
What are the key properties of 2-pyrazol-1-ylbenzenesulfonamide?
2-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 223.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 13489815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).