N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine

C21H16FN3O2S — CID 56663386

IUPACN-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN3O2S/c1-14-6-12-17(13-7-14)28(26,27)21-20(23-16-10-8-15(22)9-11-16)24-18-4-2-3-5-19(18)25-21/h2-13H,1H3,(H,23,24)
InChIKeyUVVYLIGSNCEASD-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.65
Rot. Bonds4

About N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine

N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine (PubChem CID 56663386) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
PubChem CID56663386
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN3O2S/c1-14-6-12-17(13-7-14)28(26,27)21-20(23-16-10-8-15(22)9-11-16)24-18-4-2-3-5-19(18)25-21/h2-13H,1H3,(H,23,24)
InChIKeyUVVYLIGSNCEASD-UHFFFAOYSA-N
XLogP4.65
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670252
3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
CID 56680381
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56683748
2-(benzenesulfonyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxaline
CID 70689663
2-(4-Methylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile
CID 661002
N-{3-[(2,6-dimethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2405615

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine (CID 56663386) is N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine is Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The InChIKey is UVVYLIGSNCEASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-14-6-12-17(13-7-14)28(26,27)21-20(23-16-10-8-15(22)9-11-16)24-18-4-2-3-5-19(18)25-21/h2-13H,1H3,(H,23,24).
What are the key properties of N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine has a molecular weight of 393.44 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine is sourced from PubChem (CID 56663386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).