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

C18H16N4O2S — CID 1417686

IUPAC6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1
InChIInChI=1S/C18H16N4O2S/c1-25(23,24)22-18(12-16(21-22)13-5-3-2-4-6-13)14-7-8-15-17(11-14)20-10-9-19-15/h2-11,18H,12H2,1H3/t18-/m1/s1
InChIKeyYIBYPDYJGDVIJJ-GOSISDBHSA-N
MW352.42 g/mol
LogP2.74
Rot. Bonds3

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

6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 1417686) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID1417686
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1
InChIInChI=1S/C18H16N4O2S/c1-25(23,24)22-18(12-16(21-22)13-5-3-2-4-6-13)14-7-8-15-17(11-14)20-10-9-19-15/h2-11,18H,12H2,1H3/t18-/m1/s1
InChIKeyYIBYPDYJGDVIJJ-GOSISDBHSA-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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Related Compounds

6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497982
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-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42651265
6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42568714
5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline
CID 47062340
6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 29132132
1-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 17497996
6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42956562
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

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline (CID 1417686) is 6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline is CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1.
What is the InChIKey of 6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is YIBYPDYJGDVIJJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-25(23,24)22-18(12-16(21-22)13-5-3-2-4-6-13)14-7-8-15-17(11-14)20-10-9-19-15/h2-11,18H,12H2,1H3/t18-/m1/s1.
What are the key properties of 6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-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-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 1417686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).