3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine

C22H16F3N3O2S — CID 56670252

IUPAC3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H16F3N3O2S/c1-14-6-12-17(13-7-14)31(29,30)21-20(27-18-4-2-3-5-19(18)28-21)26-16-10-8-15(9-11-16)22(23,24)25/h2-13H,1H3,(H,26,27)
InChIKeyOLFXTZUEIADXON-UHFFFAOYSA-N
MW443.45 g/mol
LogP5.53
Rot. Bonds4

About 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine

3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine (PubChem CID 56670252) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
PubChem CID56670252
Molecular FormulaC22H16F3N3O2S
Molecular Weight443.45 g/mol
Exact Mass443.09
IUPAC Name3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H16F3N3O2S/c1-14-6-12-17(13-7-14)31(29,30)21-20(27-18-4-2-3-5-19(18)28-21)26-16-10-8-15(9-11-16)22(23,24)25/h2-13H,1H3,(H,26,27)
InChIKeyOLFXTZUEIADXON-UHFFFAOYSA-N
XLogP5.53
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine 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,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide
CID 2319163
N-{3-[(4-ethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2339194
3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56663384
3-(4-bromophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56666796
3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
CID 56670219
3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670250
3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
CID 56680381
2-(benzenesulfonyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxaline
CID 70689663
N-{3-[(2,6-dimethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2405615
4-N-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56659917
3-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,3-diamine
CID 56663362
N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663386

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine (CID 56670252) is 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine is Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The InChIKey is OLFXTZUEIADXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c1-14-6-12-17(13-7-14)31(29,30)21-20(27-18-4-2-3-5-19(18)28-21)26-16-10-8-15(9-11-16)22(23,24)25/h2-13H,1H3,(H,26,27).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine has a molecular weight of 443.45 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine is sourced from PubChem (CID 56670252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).