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

C24H23N3O5S — CID 56670251

IUPAC3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5S/c1-15-9-11-17(12-10-15)33(28,29)24-23(26-18-7-5-6-8-19(18)27-24)25-16-13-20(30-2)22(32-4)21(14-16)31-3/h5-14H,1-4H3,(H,25,26)
InChIKeyNMCXXSXJQVTBQO-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.54
Rot. Bonds7

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

3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine (PubChem CID 56670251) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
PubChem CID56670251
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5S/c1-15-9-11-17(12-10-15)33(28,29)24-23(26-18-7-5-6-8-19(18)27-24)25-16-13-20(30-2)22(32-4)21(14-16)31-3/h5-14H,1-4H3,(H,25,26)
InChIKeyNMCXXSXJQVTBQO-UHFFFAOYSA-N
XLogP4.54
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine (CID 56670251) is 3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine is COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The InChIKey is NMCXXSXJQVTBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-15-9-11-17(12-10-15)33(28,29)24-23(26-18-7-5-6-8-19(18)27-24)25-16-13-20(30-2)22(32-4)21(14-16)31-3/h5-14H,1-4H3,(H,25,26).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine has a molecular weight of 465.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 56670251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).