3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine

C23H20FN3O5S — CID 56666797

IUPAC3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C23H20FN3O5S/c1-30-19-12-15(13-20(31-2)21(19)32-3)25-22-23(27-18-7-5-4-6-17(18)26-22)33(28,29)16-10-8-14(24)9-11-16/h4-13H,1-3H3,(H,25,26)
InChIKeyDWXNTMPAZGYAMQ-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.37
Rot. Bonds7

About 3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine

3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine (PubChem CID 56666797) has the molecular formula C23H20FN3O5S and a molecular weight of 469.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
PubChem CID56666797
Molecular FormulaC23H20FN3O5S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C23H20FN3O5S/c1-30-19-12-15(13-20(31-2)21(19)32-3)25-22-23(27-18-7-5-4-6-17(18)26-22)33(28,29)16-10-8-14(24)9-11-16/h4-13H,1-3H3,(H,25,26)
InChIKeyDWXNTMPAZGYAMQ-UHFFFAOYSA-N
XLogP4.37
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine (CID 56666797) is 3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine is COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The InChIKey is DWXNTMPAZGYAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5S/c1-30-19-12-15(13-20(31-2)21(19)32-3)25-22-23(27-18-7-5-4-6-17(18)26-22)33(28,29)16-10-8-14(24)9-11-16/h4-13H,1-3H3,(H,25,26).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine has a molecular weight of 469.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 56666797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).