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

C21H14F3N3O2S — CID 56670250

IUPAC3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H14F3N3O2S/c22-21(23,24)14-10-12-15(13-11-14)25-19-20(27-18-9-5-4-8-17(18)26-19)30(28,29)16-6-2-1-3-7-16/h1-13H,(H,25,26)
InChIKeyRGVVOZHKLVXWKU-UHFFFAOYSA-N
MW429.42 g/mol
LogP5.22
Rot. Bonds4

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

3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine (PubChem CID 56670250) has the molecular formula C21H14F3N3O2S and a molecular weight of 429.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
PubChem CID56670250
Molecular FormulaC21H14F3N3O2S
Molecular Weight429.42 g/mol
Exact Mass429.08
IUPAC Name3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H14F3N3O2S/c22-21(23,24)14-10-12-15(13-11-14)25-19-20(27-18-9-5-4-8-17(18)26-19)30(28,29)16-6-2-1-3-7-16/h1-13H,(H,25,26)
InChIKeyRGVVOZHKLVXWKU-UHFFFAOYSA-N
XLogP5.22
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.42
LogP ≤ 55.22
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-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670252
4-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56673747
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
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

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine (CID 56670250) is 3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine is O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The InChIKey is RGVVOZHKLVXWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2S/c22-21(23,24)14-10-12-15(13-11-14)25-19-20(27-18-9-5-4-8-17(18)26-19)30(28,29)16-6-2-1-3-7-16/h1-13H,(H,25,26).
What are the key properties of 3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine has a molecular weight of 429.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine is sourced from PubChem (CID 56670250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).