1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole

C17H15FN2O2S — CID 130252961

IUPAC1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole
SMILESCCc1ccc(-c2cnn(S(=O)(=O)c3ccccc3)c2)cc1F
InChIInChI=1S/C17H15FN2O2S/c1-2-13-8-9-14(10-17(13)18)15-11-19-20(12-15)23(21,22)16-6-4-3-5-7-16/h3-12H,2H2,1H3
InChIKeyZHMCWZKBZFUKDR-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.49
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole

1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole (PubChem CID 130252961) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole
PubChem CID130252961
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole
SMILESCCc1ccc(-c2cnn(S(=O)(=O)c3ccccc3)c2)cc1F
InChIInChI=1S/C17H15FN2O2S/c1-2-13-8-9-14(10-17(13)18)15-11-19-20(12-15)23(21,22)16-6-4-3-5-7-16/h3-12H,2H2,1H3
InChIKeyZHMCWZKBZFUKDR-UHFFFAOYSA-N
XLogP3.49
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole?
The IUPAC name of 1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole (CID 130252961) is 1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole is CCc1ccc(-c2cnn(S(=O)(=O)c3ccccc3)c2)cc1F.
What is the InChIKey of 1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole?
The InChIKey is ZHMCWZKBZFUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-2-13-8-9-14(10-17(13)18)15-11-19-20(12-15)23(21,22)16-6-4-3-5-7-16/h3-12H,2H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole?
1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole has a molecular weight of 330.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole is sourced from PubChem (CID 130252961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).