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

C21H15FN4O2S2 — CID 100661309

IUPAC2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESO=S(=O)(c1ccc(F)cc1)N1N=C(c2cccs2)C[C@@H]1c1cnc2ccccc2n1
InChIInChI=1S/C21H15FN4O2S2/c22-14-7-9-15(10-8-14)30(27,28)26-20(12-18(25-26)21-6-3-11-29-21)19-13-23-16-4-1-2-5-17(16)24-19/h1-11,13,20H,12H2/t20-/m1/s1
InChIKeyUGQXFYRWOZVSLE-HXUWFJFHSA-N
MW438.51 g/mol
LogP4.37
Rot. Bonds4

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

2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 100661309) has the molecular formula C21H15FN4O2S2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID100661309
Molecular FormulaC21H15FN4O2S2
Molecular Weight438.51 g/mol
Exact Mass438.06
IUPAC Name2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESO=S(=O)(c1ccc(F)cc1)N1N=C(c2cccs2)C[C@@H]1c1cnc2ccccc2n1
InChIInChI=1S/C21H15FN4O2S2/c22-14-7-9-15(10-8-14)30(27,28)26-20(12-18(25-26)21-6-3-11-29-21)19-13-23-16-4-1-2-5-17(16)24-19/h1-11,13,20H,12H2/t20-/m1/s1
InChIKeyUGQXFYRWOZVSLE-HXUWFJFHSA-N
XLogP4.37
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-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

2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100661057
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
2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol
CID 7150511
(3R)-3-(4-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 949055
N-[2-[(3S)-2-(4-fluorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 95789401
2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100660996
6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 29132132
(3S)-3-(4-fluorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7263592
2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100659019
(3R)-3-(2-chloro-4-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 99803096
3-(2-chloro-4-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 102564153

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline (CID 100661309) is 2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline is O=S(=O)(c1ccc(F)cc1)N1N=C(c2cccs2)C[C@@H]1c1cnc2ccccc2n1.
What is the InChIKey of 2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is UGQXFYRWOZVSLE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H15FN4O2S2/c22-14-7-9-15(10-8-14)30(27,28)26-20(12-18(25-26)21-6-3-11-29-21)19-13-23-16-4-1-2-5-17(16)24-19/h1-11,13,20H,12H2/t20-/m1/s1.
What are the key properties of 2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline?
2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline has a molecular weight of 438.51 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 100661309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).