4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine

C20H16N4O2S — CID 56670220

IUPAC4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine
SMILESNc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16N4O2S/c21-14-10-12-15(13-11-14)22-19-20(24-18-9-5-4-8-17(18)23-19)27(25,26)16-6-2-1-3-7-16/h1-13H,21H2,(H,22,23)
InChIKeyRMOFJHOTYDPKNB-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.79
Rot. Bonds4

About 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine

4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine (PubChem CID 56670220) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine
PubChem CID56670220
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine
SMILESNc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16N4O2S/c21-14-10-12-15(13-11-14)22-19-20(24-18-9-5-4-8-17(18)23-19)27(25,26)16-6-2-1-3-7-16/h1-13H,21H2,(H,22,23)
InChIKeyRMOFJHOTYDPKNB-UHFFFAOYSA-N
XLogP3.79
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine 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-[({3-[(4-aminophenyl)amino]-2-quinoxalinyl}amino)sulfonyl]phenyl}acetamide
CID 2314355
N-{3-[(4-ethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2339194
N-[4-(3-Benzenesulfonylamino-quinoxalin-2-ylamino)-phenyl]-acetamide
CID 1400928
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119
3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56663384
3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
CID 56670219
3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670250
3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670252
4-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56673747
3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
CID 56680381
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56683748
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-4-ol
CID 70685462

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine (CID 56670220) is 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine is Nc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine?
The InChIKey is RMOFJHOTYDPKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c21-14-10-12-15(13-11-14)22-19-20(24-18-9-5-4-8-17(18)23-19)27(25,26)16-6-2-1-3-7-16/h1-13H,21H2,(H,22,23).
What are the key properties of 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine?
4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine has a molecular weight of 376.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 56670220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).