3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine

C23H21N3O4S — CID 141211320

IUPAC3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C23H21N3O4S/c1-29-18-12-17(13-19(14-18)30-2)24-22-23(26-21-11-7-6-10-20(21)25-22)31(27,28)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyMFUORNCSGCIPTE-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.36
Rot. Bonds7

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

3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine (PubChem CID 141211320) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
PubChem CID141211320
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2nc3ccccc3nc2S(=O)(=O)Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C23H21N3O4S/c1-29-18-12-17(13-19(14-18)30-2)24-22-23(26-21-11-7-6-10-20(21)25-22)31(27,28)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyMFUORNCSGCIPTE-UHFFFAOYSA-N
XLogP4.36
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzylsulfonyl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
CID 141211321
N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine
CID 58274304
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
CID 68879668
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976
N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
CID 56677086
N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide
CID 140566854
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide
CID 151992282
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-1-(1-methylpyrrol-2-yl)ethanone
CID 58274231
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663385
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide
CID 58274510

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine?
The IUPAC name of 3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine (CID 141211320) is 3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for 3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine is COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)Cc2ccccc2)cc(OC)c1.
What is the InChIKey of 3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine?
The InChIKey is MFUORNCSGCIPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-29-18-12-17(13-19(14-18)30-2)24-22-23(26-21-11-7-6-10-20(21)25-22)31(27,28)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,24,25).
What are the key properties of 3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine?
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine has a molecular weight of 435.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 141211320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).