N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine

C21H16ClN3O2S — CID 56663387

IUPACN-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClN3O2S/c1-14-6-12-17(13-7-14)28(26,27)21-20(23-16-10-8-15(22)9-11-16)24-18-4-2-3-5-19(18)25-21/h2-13H,1H3,(H,23,24)
InChIKeyAQQYEWNSIFQWBL-UHFFFAOYSA-N
MW409.90 g/mol
LogP5.17
Rot. Bonds4

About N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine

N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine (PubChem CID 56663387) has the molecular formula C21H16ClN3O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
PubChem CID56663387
Molecular FormulaC21H16ClN3O2S
Molecular Weight409.90 g/mol
Exact Mass409.07
IUPAC NameN-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClN3O2S/c1-14-6-12-17(13-7-14)28(26,27)21-20(23-16-10-8-15(22)9-11-16)24-18-4-2-3-5-19(18)25-21/h2-13H,1H3,(H,23,24)
InChIKeyAQQYEWNSIFQWBL-UHFFFAOYSA-N
XLogP5.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.90
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine (CID 56663387) is N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine is Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
The InChIKey is AQQYEWNSIFQWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2S/c1-14-6-12-17(13-7-14)28(26,27)21-20(23-16-10-8-15(22)9-11-16)24-18-4-2-3-5-19(18)25-21/h2-13H,1H3,(H,23,24).
What are the key properties of N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine?
N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine has a molecular weight of 409.90 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine is sourced from PubChem (CID 56663387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).