5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline

C24H20N4O2S — CID 51701428

IUPAC5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc4nccnc34)C2)cc1
InChIInChI=1S/C24H20N4O2S/c1-17-10-12-18(13-11-17)22-16-23(20-8-5-9-21-24(20)26-15-14-25-21)28(27-22)31(29,30)19-6-3-2-4-7-19/h2-15,23H,16H2,1H3/t23-/m1/s1
InChIKeyBBUUMEPSHBLZTM-HSZRJFAPSA-N
MW428.52 g/mol
LogP4.48
Rot. Bonds4

About 5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline

5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 51701428) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID51701428
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc4nccnc34)C2)cc1
InChIInChI=1S/C24H20N4O2S/c1-17-10-12-18(13-11-17)22-16-23(20-8-5-9-21-24(20)26-15-14-25-21)28(27-22)31(29,30)19-6-3-2-4-7-19/h2-15,23H,16H2,1H3/t23-/m1/s1
InChIKeyBBUUMEPSHBLZTM-HSZRJFAPSA-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

5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline
CID 47062340
2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 3703807
(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
3-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-2-chloroquinoline
CID 51967938
2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100661057
4-[(3S)-5-(4-methylphenyl)-3-quinoxalin-5-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 95789605
(3S)-5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 41057032
6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497982
(3R)-2-(benzenesulfonyl)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120948
6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42651265
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 41038498

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline (CID 51701428) is 5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline is Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc4nccnc34)C2)cc1.
What is the InChIKey of 5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is BBUUMEPSHBLZTM-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-17-10-12-18(13-11-17)22-16-23(20-8-5-9-21-24(20)26-15-14-25-21)28(27-22)31(29,30)19-6-3-2-4-7-19/h2-15,23H,16H2,1H3/t23-/m1/s1.
What are the key properties of 5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline?
5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-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 5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 51701428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).