1-(4-fluorophenyl)sulfonyl-3-methylpyrazole

C10H9FN2O2S — CID 976427

IUPAC1-(4-fluorophenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN2O2S/c1-8-6-7-13(12-8)16(14,15)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKeyKNEKRPKXHRGDKJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-3-methylpyrazole

1-(4-fluorophenyl)sulfonyl-3-methylpyrazole (PubChem CID 976427) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-methylpyrazole
PubChem CID976427
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN2O2S/c1-8-6-7-13(12-8)16(14,15)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKeyKNEKRPKXHRGDKJ-UHFFFAOYSA-N
XLogP1.57
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-methylpyrazole (CID 976427) is 1-(4-fluorophenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-methylpyrazole is Cc1ccn(S(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-methylpyrazole?
The InChIKey is KNEKRPKXHRGDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-8-6-7-13(12-8)16(14,15)10-4-2-9(11)3-5-10/h2-7H,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-methylpyrazole?
1-(4-fluorophenyl)sulfonyl-3-methylpyrazole has a molecular weight of 240.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 976427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).