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

C24H23N3O5S — CID 141211321

IUPAC3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5S/c1-30-20-13-17(14-21(31-2)22(20)32-3)25-23-24(27-19-12-8-7-11-18(19)26-23)33(28,29)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,25,26)
InChIKeyRLRABUJAIWCMDG-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.37
Rot. Bonds8

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

3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine (PubChem CID 141211321) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
PubChem CID141211321
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5S/c1-30-20-13-17(14-21(31-2)22(20)32-3)25-23-24(27-19-12-8-7-11-18(19)26-23)33(28,29)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,25,26)
InChIKeyRLRABUJAIWCMDG-UHFFFAOYSA-N
XLogP4.37
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320
4-N-[4-(benzylsulfonylmethyl)phenyl]-5-fluoro-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 58123153
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
3-nitro-N-[3-(3,4,5-trimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3333042
N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 57448451
N-(3,4,5-trimethoxyphenyl)quinolin-2-amine
CID 57393025
N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
CID 56677086
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine
CID 58274304
3-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1413527
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976
4-benzylsulfonyl-3-methoxyaniline
CID 81207616

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The IUPAC name of 3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine (CID 141211321) is 3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for 3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine is COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The InChIKey is RLRABUJAIWCMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-30-20-13-17(14-21(31-2)22(20)32-3)25-23-24(27-19-12-8-7-11-18(19)26-23)33(28,29)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,25,26).
What are the key properties of 3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine has a molecular weight of 465.53 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 141211321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).