6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline

C24H20N4O2S2 — CID 42651265

IUPAC6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCSc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C24H20N4O2S2/c1-31-19-10-7-17(8-11-19)22-16-24(18-9-12-21-23(15-18)26-14-13-25-21)28(27-22)32(29,30)20-5-3-2-4-6-20/h2-15,24H,16H2,1H3
InChIKeyWNYJLJJPKOLETP-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.89
Rot. Bonds5

About 6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline

6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 42651265) has the molecular formula C24H20N4O2S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID42651265
Molecular FormulaC24H20N4O2S2
Molecular Weight460.58 g/mol
Exact Mass460.10
IUPAC Name6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCSc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C24H20N4O2S2/c1-31-19-10-7-17(8-11-19)22-16-24(18-9-12-21-23(15-18)26-14-13-25-21)28(27-22)32(29,30)20-5-3-2-4-6-20/h2-15,24H,16H2,1H3
InChIKeyWNYJLJJPKOLETP-UHFFFAOYSA-N
XLogP4.89
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497982
6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 29132132
6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42956562
6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1417686
6-[(3S)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42588958
6-[2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497995
(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
6-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 3157414
6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1091980
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 4963246
5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 51701428
(3R)-2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 41056967

Frequently Asked Questions

What is the IUPAC name of 6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline (CID 42651265) is 6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline is CSc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccc4nccnc4c3)C2)cc1.
What is the InChIKey of 6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is WNYJLJJPKOLETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S2/c1-31-19-10-7-17(8-11-19)22-16-24(18-9-12-21-23(15-18)26-14-13-25-21)28(27-22)32(29,30)20-5-3-2-4-6-20/h2-15,24H,16H2,1H3.
What are the key properties of 6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline has a molecular weight of 460.58 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 42651265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).