1-(benzenesulfonyl)pyrazole

C9H8N2O2S — CID 588934

IUPAC1-(benzenesulfonyl)pyrazole
SMILESO=S(=O)(c1ccccc1)n1cccn1
InChIInChI=1S/C9H8N2O2S/c12-14(13,11-8-4-7-10-11)9-5-2-1-3-6-9/h1-8H
InChIKeyATJIFKKDVQVXKP-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.12
Rot. Bonds2

About 1-(benzenesulfonyl)pyrazole

1-(benzenesulfonyl)pyrazole (PubChem CID 588934) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrazole
PubChem CID588934
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name1-(benzenesulfonyl)pyrazole
SMILESO=S(=O)(c1ccccc1)n1cccn1
InChIInChI=1S/C9H8N2O2S/c12-14(13,11-8-4-7-10-11)9-5-2-1-3-6-9/h1-8H
InChIKeyATJIFKKDVQVXKP-UHFFFAOYSA-N
XLogP1.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrazole?
The IUPAC name of 1-(benzenesulfonyl)pyrazole (CID 588934) is 1-(benzenesulfonyl)pyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)pyrazole?
The canonical SMILES for 1-(benzenesulfonyl)pyrazole is O=S(=O)(c1ccccc1)n1cccn1.
What is the InChIKey of 1-(benzenesulfonyl)pyrazole?
The InChIKey is ATJIFKKDVQVXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-14(13,11-8-4-7-10-11)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 1-(benzenesulfonyl)pyrazole?
1-(benzenesulfonyl)pyrazole has a molecular weight of 208.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrazole is sourced from PubChem (CID 588934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).