5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine

C22H18FN3O4S — CID 141267265

IUPAC5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine
SMILESCOc1cc(OC)cc(-c2cccc3nc(N)c(S(=O)(=O)c4ccc(F)cc4)nc23)c1
InChIInChI=1S/C22H18FN3O4S/c1-29-15-10-13(11-16(12-15)30-2)18-4-3-5-19-20(18)26-22(21(24)25-19)31(27,28)17-8-6-14(23)7-9-17/h3-12H,1-2H3,(H2,24,25)
InChIKeyBKNWRAWKKCOSNW-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.87
Rot. Bonds5

About 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine

5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine (PubChem CID 141267265) has the molecular formula C22H18FN3O4S and a molecular weight of 439.47 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine
PubChem CID141267265
Molecular FormulaC22H18FN3O4S
Molecular Weight439.47 g/mol
Exact Mass439.10
IUPAC Name5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine
SMILESCOc1cc(OC)cc(-c2cccc3nc(N)c(S(=O)(=O)c4ccc(F)cc4)nc23)c1
InChIInChI=1S/C22H18FN3O4S/c1-29-15-10-13(11-16(12-15)30-2)18-4-3-5-19-20(18)26-22(21(24)25-19)31(27,28)17-8-6-14(23)7-9-17/h3-12H,1-2H3,(H2,24,25)
InChIKeyBKNWRAWKKCOSNW-UHFFFAOYSA-N
XLogP3.87
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine (CID 141267265) is 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine is COc1cc(OC)cc(-c2cccc3nc(N)c(S(=O)(=O)c4ccc(F)cc4)nc23)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine?
The InChIKey is BKNWRAWKKCOSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4S/c1-29-15-10-13(11-16(12-15)30-2)18-4-3-5-19-20(18)26-22(21(24)25-19)31(27,28)17-8-6-14(23)7-9-17/h3-12H,1-2H3,(H2,24,25).
What are the key properties of 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine?
5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine has a molecular weight of 439.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine is sourced from PubChem (CID 141267265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).