3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine

C21H17N3O3S — CID 56680379

IUPAC3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-27-16-13-11-15(12-14-16)22-20-21(24-19-10-6-5-9-18(19)23-20)28(25,26)17-7-3-2-4-8-17/h2-14H,1H3,(H,22,23)
InChIKeySQOCSAJECQUUKR-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.21
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine

3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine (PubChem CID 56680379) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
PubChem CID56680379
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-27-16-13-11-15(12-14-16)22-20-21(24-19-10-6-5-9-18(19)23-20)28(25,26)17-7-3-2-4-8-17/h2-14H,1H3,(H,22,23)
InChIKeySQOCSAJECQUUKR-UHFFFAOYSA-N
XLogP4.21
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
CID 56677086
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663385
3-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,3-diamine
CID 56663362
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
2,3-bis(benzenesulfonyl)quinoxaline
CID 6612515
5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 15987565
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989
N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1400090
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
2-(benzenesulfonyl)-3-methylquinoxaline
CID 1202768

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine (CID 56680379) is 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine is COc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine?
The InChIKey is SQOCSAJECQUUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-27-16-13-11-15(12-14-16)22-20-21(24-19-10-6-5-9-18(19)23-20)28(25,26)17-7-3-2-4-8-17/h2-14H,1H3,(H,22,23).
What are the key properties of 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine?
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine has a molecular weight of 391.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 56680379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).