N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine

C23H21N3O4S — CID 56666816

IUPACN-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C23H21N3O4S/c1-15-8-10-19(11-9-15)31(27,28)23-22(25-20-6-4-5-7-21(20)26-23)24-16-12-17(29-2)14-18(13-16)30-3/h4-14H,1-3H3,(H,24,25)
InChIKeyJEVZBGPVPPYYSF-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.53
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine (PubChem CID 56666816) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
PubChem CID56666816
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C23H21N3O4S/c1-15-8-10-19(11-9-15)31(27,28)23-22(25-20-6-4-5-7-21(20)26-23)24-16-12-17(29-2)14-18(13-16)30-3/h4-14H,1-3H3,(H,24,25)
InChIKeyJEVZBGPVPPYYSF-UHFFFAOYSA-N
XLogP4.53
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine (CID 56666816) is N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine is COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The InChIKey is JEVZBGPVPPYYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-15-8-10-19(11-9-15)31(27,28)23-22(25-20-6-4-5-7-21(20)26-23)24-16-12-17(29-2)14-18(13-16)30-3/h4-14H,1-3H3,(H,24,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine has a molecular weight of 435.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine is sourced from PubChem (CID 56666816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).