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

C24H23N3O6S — CID 56659927

IUPAC3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H23N3O6S/c1-30-16-9-11-17(12-10-16)34(28,29)24-23(26-18-7-5-6-8-19(18)27-24)25-15-13-20(31-2)22(33-4)21(14-15)32-3/h5-14H,1-4H3,(H,25,26)
InChIKeyGUPPBHMHHVREBM-UHFFFAOYSA-N
MW481.53 g/mol
LogP4.24
Rot. Bonds8

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

3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine (PubChem CID 56659927) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
PubChem CID56659927
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H23N3O6S/c1-30-16-9-11-17(12-10-16)34(28,29)24-23(26-18-7-5-6-8-19(18)27-24)25-15-13-20(31-2)22(33-4)21(14-15)32-3/h5-14H,1-4H3,(H,25,26)
InChIKeyGUPPBHMHHVREBM-UHFFFAOYSA-N
XLogP4.24
TPSA108.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine (CID 56659927) is 3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine is COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The InChIKey is GUPPBHMHHVREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-30-16-9-11-17(12-10-16)34(28,29)24-23(26-18-7-5-6-8-19(18)27-24)25-15-13-20(31-2)22(33-4)21(14-15)32-3/h5-14H,1-4H3,(H,25,26).
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine has a molecular weight of 481.53 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 56659927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).