6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline

C18H16N4O2S — CID 2963407

IUPAC6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline
SMILESCS(=O)(=O)N1N=C(c2ccc3nccnc3c2)CC1c1ccccc1
InChIInChI=1S/C18H16N4O2S/c1-25(23,24)22-18(13-5-3-2-4-6-13)12-16(21-22)14-7-8-15-17(11-14)20-10-9-19-15/h2-11,18H,12H2,1H3
InChIKeyAXTNHNGAQXHFER-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.74
Rot. Bonds3

About 6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline

6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline (PubChem CID 2963407) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline.

Molecular Properties

Compound Name6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline
PubChem CID2963407
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline
SMILESCS(=O)(=O)N1N=C(c2ccc3nccnc3c2)CC1c1ccccc1
InChIInChI=1S/C18H16N4O2S/c1-25(23,24)22-18(13-5-3-2-4-6-13)12-16(21-22)14-7-8-15-17(11-14)20-10-9-19-15/h2-11,18H,12H2,1H3
InChIKeyAXTNHNGAQXHFER-UHFFFAOYSA-N
XLogP2.74
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline?
The IUPAC name of 6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline (CID 2963407) is 6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline.
What is the SMILES notation for 6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline?
The canonical SMILES for 6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline is CS(=O)(=O)N1N=C(c2ccc3nccnc3c2)CC1c1ccccc1.
What is the InChIKey of 6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline?
The InChIKey is AXTNHNGAQXHFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-25(23,24)22-18(13-5-3-2-4-6-13)12-16(21-22)14-7-8-15-17(11-14)20-10-9-19-15/h2-11,18H,12H2,1H3.
What are the key properties of 6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline?
6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline has a molecular weight of 352.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)quinoxaline is sourced from PubChem (CID 2963407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).