3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine

C21H17N3O2S — CID 56663384

IUPAC3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccccc2)cc1
InChIInChI=1S/C21H17N3O2S/c1-15-11-13-17(14-12-15)27(25,26)21-20(22-16-7-3-2-4-8-16)23-18-9-5-6-10-19(18)24-21/h2-14H,1H3,(H,22,23)
InChIKeyYBIRRCDHZRONGY-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.51
Rot. Bonds4

About 3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine

3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine (PubChem CID 56663384) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
PubChem CID56663384
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccccc2)cc1
InChIInChI=1S/C21H17N3O2S/c1-15-11-13-17(14-12-15)27(25,26)21-20(22-16-7-3-2-4-8-16)23-18-9-5-6-10-19(18)24-21/h2-14H,1H3,(H,22,23)
InChIKeyYBIRRCDHZRONGY-UHFFFAOYSA-N
XLogP4.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-Methylphenyl)sulfonyl]-2-quinolinylamine
CID 1478074
N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide
CID 2319163
N-{3-[(4-ethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2339194
3-(4-bromophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56666796
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
2-(benzenesulfonyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxaline
CID 70689663
N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726528

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine (CID 56663384) is 3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine is Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine?
The InChIKey is YBIRRCDHZRONGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-15-11-13-17(14-12-15)27(25,26)21-20(22-16-7-3-2-4-8-16)23-18-9-5-6-10-19(18)24-21/h2-14H,1H3,(H,22,23).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine?
3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine has a molecular weight of 375.45 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine is sourced from PubChem (CID 56663384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).