4-pyrazol-1-ylbenzenesulfonyl chloride

C9H7ClN2O2S — CID 2776475

IUPAC4-pyrazol-1-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C9H7ClN2O2S/c10-15(13,14)9-4-2-8(3-5-9)12-7-1-6-11-12/h1-7H
InChIKeyAHXRGFFTKHQGOE-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.80
Rot. Bonds2

About 4-pyrazol-1-ylbenzenesulfonyl chloride

4-pyrazol-1-ylbenzenesulfonyl chloride (PubChem CID 2776475) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 4-pyrazol-1-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-pyrazol-1-ylbenzenesulfonyl chloride
PubChem CID2776475
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name4-pyrazol-1-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C9H7ClN2O2S/c10-15(13,14)9-4-2-8(3-5-9)12-7-1-6-11-12/h1-7H
InChIKeyAHXRGFFTKHQGOE-UHFFFAOYSA-N
XLogP1.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-ylbenzenesulfonyl chloride?
The IUPAC name of 4-pyrazol-1-ylbenzenesulfonyl chloride (CID 2776475) is 4-pyrazol-1-ylbenzenesulfonyl chloride.
What is the SMILES notation for 4-pyrazol-1-ylbenzenesulfonyl chloride?
The canonical SMILES for 4-pyrazol-1-ylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-ylbenzenesulfonyl chloride?
The InChIKey is AHXRGFFTKHQGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-4-2-8(3-5-9)12-7-1-6-11-12/h1-7H.
What are the key properties of 4-pyrazol-1-ylbenzenesulfonyl chloride?
4-pyrazol-1-ylbenzenesulfonyl chloride has a molecular weight of 242.69 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-ylbenzenesulfonyl chloride is sourced from PubChem (CID 2776475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).