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

C23H21N3O5S — CID 56673746

IUPAC3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O5S/c1-29-19-13-15(14-20(30-2)21(19)31-3)24-22-23(26-18-12-8-7-11-17(18)25-22)32(27,28)16-9-5-4-6-10-16/h4-14H,1-3H3,(H,24,25)
InChIKeyFPXBYWAERRTJLB-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.23
Rot. Bonds7

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

3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine (PubChem CID 56673746) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
PubChem CID56673746
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O5S/c1-29-19-13-15(14-20(30-2)21(19)31-3)24-22-23(26-18-12-8-7-11-17(18)25-22)32(27,28)16-9-5-4-6-10-16/h4-14H,1-3H3,(H,24,25)
InChIKeyFPXBYWAERRTJLB-UHFFFAOYSA-N
XLogP4.23
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine (CID 56673746) is 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine is COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The InChIKey is FPXBYWAERRTJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-29-19-13-15(14-20(30-2)21(19)31-3)24-22-23(26-18-12-8-7-11-17(18)25-22)32(27,28)16-9-5-4-6-10-16/h4-14H,1-3H3,(H,24,25).
What are the key properties of 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine has a molecular weight of 451.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 56673746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).