2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline

C24H20N4O2S — CID 100661057

IUPAC2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2cnc3ccccc3n2)cc1
InChIInChI=1S/C24H20N4O2S/c1-17-11-13-19(14-12-17)31(29,30)28-24(15-22(27-28)18-7-3-2-4-8-18)23-16-25-20-9-5-6-10-21(20)26-23/h2-14,16,24H,15H2,1H3/t24-/m0/s1
InChIKeyPMRLIKQFOROEJO-DEOSSOPVSA-N
MW428.52 g/mol
LogP4.48
Rot. Bonds4

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

2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 100661057) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID100661057
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2cnc3ccccc3n2)cc1
InChIInChI=1S/C24H20N4O2S/c1-17-11-13-19(14-12-17)31(29,30)28-24(15-22(27-28)18-7-3-2-4-8-18)23-16-25-20-9-5-6-10-21(20)26-23/h2-14,16,24H,15H2,1H3/t24-/m0/s1
InChIKeyPMRLIKQFOROEJO-DEOSSOPVSA-N
XLogP4.48
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100661309
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 51701428
2-[(3S)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100660582
3-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-2-chloroquinoline
CID 51967938
2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100660996
2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 3703807
6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497982
6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42956562
(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 102531502

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline (CID 100661057) is 2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline is Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is PMRLIKQFOROEJO-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-17-11-13-19(14-12-17)31(29,30)28-24(15-22(27-28)18-7-3-2-4-8-18)23-16-25-20-9-5-6-10-21(20)26-23/h2-14,16,24H,15H2,1H3/t24-/m0/s1.
What are the key properties of 2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline has a molecular weight of 428.52 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 100661057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).