5-(benzenesulfonyl)-1H-pyrazole

C9H8N2O2S — CID 15880398

IUPAC5-(benzenesulfonyl)-1H-pyrazole
SMILESO=S(=O)(c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C9H8N2O2S/c12-14(13,9-6-7-10-11-9)8-4-2-1-3-5-8/h1-7H,(H,10,11)
InChIKeyNPQPATGIGBKPHB-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.24
Rot. Bonds2

About 5-(benzenesulfonyl)-1H-pyrazole

5-(benzenesulfonyl)-1H-pyrazole (PubChem CID 15880398) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1H-pyrazole
PubChem CID15880398
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name5-(benzenesulfonyl)-1H-pyrazole
SMILESO=S(=O)(c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C9H8N2O2S/c12-14(13,9-6-7-10-11-9)8-4-2-1-3-5-8/h1-7H,(H,10,11)
InChIKeyNPQPATGIGBKPHB-UHFFFAOYSA-N
XLogP1.24
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1H-pyrazole?
The IUPAC name of 5-(benzenesulfonyl)-1H-pyrazole (CID 15880398) is 5-(benzenesulfonyl)-1H-pyrazole.
What is the SMILES notation for 5-(benzenesulfonyl)-1H-pyrazole?
The canonical SMILES for 5-(benzenesulfonyl)-1H-pyrazole is O=S(=O)(c1ccccc1)c1ccn[nH]1.
What is the InChIKey of 5-(benzenesulfonyl)-1H-pyrazole?
The InChIKey is NPQPATGIGBKPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-14(13,9-6-7-10-11-9)8-4-2-1-3-5-8/h1-7H,(H,10,11).
What are the key properties of 5-(benzenesulfonyl)-1H-pyrazole?
5-(benzenesulfonyl)-1H-pyrazole has a molecular weight of 208.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1H-pyrazole is sourced from PubChem (CID 15880398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).