6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline

C24H19FN4O2S — CID 42956562

IUPAC6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)C(c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C24H19FN4O2S/c1-16-2-4-17(5-3-16)22-15-24(18-6-11-21-23(14-18)27-13-12-26-21)29(28-22)32(30,31)20-9-7-19(25)8-10-20/h2-14,24H,15H2,1H3
InChIKeyAMWIHKFHXYIDLC-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.62
Rot. Bonds4

About 6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline

6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 42956562) has the molecular formula C24H19FN4O2S and a molecular weight of 446.51 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID42956562
Molecular FormulaC24H19FN4O2S
Molecular Weight446.51 g/mol
Exact Mass446.12
IUPAC Name6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)C(c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C24H19FN4O2S/c1-16-2-4-17(5-3-16)22-15-24(18-6-11-21-23(14-18)27-13-12-26-21)29(28-22)32(30,31)20-9-7-19(25)8-10-20/h2-14,24H,15H2,1H3
InChIKeyAMWIHKFHXYIDLC-UHFFFAOYSA-N
XLogP4.62
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline (CID 42956562) is 6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline is Cc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)C(c3ccc4nccnc4c3)C2)cc1.
What is the InChIKey of 6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is AMWIHKFHXYIDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S/c1-16-2-4-17(5-3-16)22-15-24(18-6-11-21-23(14-18)27-13-12-26-21)29(28-22)32(30,31)20-9-7-19(25)8-10-20/h2-14,24H,15H2,1H3.
What are the key properties of 6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline has a molecular weight of 446.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 42956562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).