(4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline

C23H16F3N3O2S — CID 3246618

IUPAC(4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1c2ccccc2-n2cccc2[C@H]1c1cccnc1
InChIInChI=1S/C23H16F3N3O2S/c24-23(25,26)17-7-3-8-18(14-17)32(30,31)29-20-10-2-1-9-19(20)28-13-5-11-21(28)22(29)16-6-4-12-27-15-16/h1-15,22H/t22-/m1/s1
InChIKeyUAZQZAONUXSURN-JOCHJYFZSA-N
MW455.46 g/mol
LogP5.19
Rot. Bonds3

About (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline

(4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline (PubChem CID 3246618) has the molecular formula C23H16F3N3O2S and a molecular weight of 455.46 g/mol. Its IUPAC name is (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name(4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline
PubChem CID3246618
Molecular FormulaC23H16F3N3O2S
Molecular Weight455.46 g/mol
Exact Mass455.09
IUPAC Name(4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1c2ccccc2-n2cccc2[C@H]1c1cccnc1
InChIInChI=1S/C23H16F3N3O2S/c24-23(25,26)17-7-3-8-18(14-17)32(30,31)29-20-10-2-1-9-19(20)28-13-5-11-21(28)22(29)16-6-4-12-27-15-16/h1-15,22H/t22-/m1/s1
InChIKeyUAZQZAONUXSURN-JOCHJYFZSA-N
XLogP5.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]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

N-[5-(pyridin-3-yl)quinolin-8-yl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 118873492
1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1h-indole
CID 23624297
11-(3-Fluorophenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53303985
4-(3-Pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline
CID 328919
8-(2,3-dihydro-1H-indol-1-ylsulfonyl)quinoline
CID 659903
4-Phenyl-1-(8-quinolylsulfonyl)piperazine
CID 1356333
1-(4-Methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10091389
1-(4-Fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10091613
1-(4-Fluoro benzenesulfonyl)-5-(4-methylpiperazin-1-yl-methyl)-1H-indole
CID 25024144
1-(4-Fluoro benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
CID 25024322
1-(2,4-Difluoro benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
CID 25024326
1-(3-trifluoromethyl benzenesulfonyl)-5-(4-methylpiperazin-1-yl-methyl)-1H-indole
CID 25024725

Frequently Asked Questions

What is the IUPAC name of (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline?
The IUPAC name of (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline (CID 3246618) is (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline is O=S(=O)(c1cccc(C(F)(F)F)c1)N1c2ccccc2-n2cccc2[C@H]1c1cccnc1.
What is the InChIKey of (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline?
The InChIKey is UAZQZAONUXSURN-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H16F3N3O2S/c24-23(25,26)17-7-3-8-18(14-17)32(30,31)29-20-10-2-1-9-19(20)28-13-5-11-21(28)22(29)16-6-4-12-27-15-16/h1-15,22H/t22-/m1/s1.
What are the key properties of (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline?
(4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline has a molecular weight of 455.46 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4H-pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 3246618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).