1-(benzenesulfonyl)-3-methylpyrazole

C10H10N2O2S — CID 2992104

IUPAC1-(benzenesulfonyl)-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C10H10N2O2S/c1-9-7-8-12(11-9)15(13,14)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyCGMGMNUBPWIFEJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.43
Rot. Bonds2

About 1-(benzenesulfonyl)-3-methylpyrazole

1-(benzenesulfonyl)-3-methylpyrazole (PubChem CID 2992104) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-methylpyrazole
PubChem CID2992104
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name1-(benzenesulfonyl)-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C10H10N2O2S/c1-9-7-8-12(11-9)15(13,14)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyCGMGMNUBPWIFEJ-UHFFFAOYSA-N
XLogP1.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-methylpyrazole?
The IUPAC name of 1-(benzenesulfonyl)-3-methylpyrazole (CID 2992104) is 1-(benzenesulfonyl)-3-methylpyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-methylpyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-3-methylpyrazole is Cc1ccn(S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-3-methylpyrazole?
The InChIKey is CGMGMNUBPWIFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-9-7-8-12(11-9)15(13,14)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-methylpyrazole?
1-(benzenesulfonyl)-3-methylpyrazole has a molecular weight of 222.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-methylpyrazole is sourced from PubChem (CID 2992104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).