6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline

C23H16F2N4O2S — CID 29132132

IUPAC6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESO=S(=O)(c1ccc(F)cc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1
InChIInChI=1S/C23H16F2N4O2S/c24-17-4-1-15(2-5-17)21-14-23(16-3-10-20-22(13-16)27-12-11-26-20)29(28-21)32(30,31)19-8-6-18(25)7-9-19/h1-13,23H,14H2/t23-/m1/s1
InChIKeyCQZJPYYRTHEHLC-HSZRJFAPSA-N
MW450.47 g/mol
LogP4.45
Rot. Bonds4

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

6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 29132132) has the molecular formula C23H16F2N4O2S and a molecular weight of 450.47 g/mol. Its IUPAC name is 6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID29132132
Molecular FormulaC23H16F2N4O2S
Molecular Weight450.47 g/mol
Exact Mass450.10
IUPAC Name6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESO=S(=O)(c1ccc(F)cc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1
InChIInChI=1S/C23H16F2N4O2S/c24-17-4-1-15(2-5-17)21-14-23(16-3-10-20-22(13-16)27-12-11-26-20)29(28-21)32(30,31)19-8-6-18(25)7-9-19/h1-13,23H,14H2/t23-/m1/s1
InChIKeyCQZJPYYRTHEHLC-HSZRJFAPSA-N
XLogP4.45
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42956562
6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497982
6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42651265
6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1417686
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
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
[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 42108901
1-[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 42108887
N-[4-[3-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 5068618
2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 23742020

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (CID 29132132) is 6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is O=S(=O)(c1ccc(F)cc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1.
What is the InChIKey of 6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is CQZJPYYRTHEHLC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H16F2N4O2S/c24-17-4-1-15(2-5-17)21-14-23(16-3-10-20-22(13-16)27-12-11-26-20)29(28-21)32(30,31)19-8-6-18(25)7-9-19/h1-13,23H,14H2/t23-/m1/s1.
What are the key properties of 6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline has a molecular weight of 450.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 29132132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).