N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide

C50H36Cl2N16O7S2 — CID 160884967

About N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide

N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide (PubChem CID 160884967) has the molecular formula C50H36Cl2N16O7S2 and a molecular weight of 1107.98 g/mol. Its IUPAC name is N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
• PubChem CID: 160884967
• Molecular Formula: C50H36Cl2N16O7S2
• Molecular Weight: 1107.98 g/mol
• Exact Mass: 1106.18
• IUPAC Name: N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2Cl)o1.CS(=O)(=O)Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2Cl)o1
• InChI: InChI=1S/C17H12ClN5O3S.C17H14N6O3S.C16H10ClN5O/c2*1-27(24,25)23-11-7-3-2-6-10(11)16-21-22-17(26-16)14-15(18)20-13-9-5-4-8-12(13)19-14;17-14-13(19-11-7-3-4-8-12(11)20-14)16-22-21-15(23-16)9-5-1-2-6-10(9)18/h2-9,23H,1H3;2-9,23H,1H3,(H2,18,20);1-8H,18H2
• InChIKey: SNNCSUJIUZZJLC-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 338.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1107.98
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?

The IUPAC name of N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide (CID 160884967) is N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2Cl)o1.CS(=O)(=O)Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2Cl)o1.

What is the InChIKey of N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?

The InChIKey is SNNCSUJIUZZJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O3S.C17H14N6O3S.C16H10ClN5O/c2*1-27(24,25)23-11-7-3-2-6-10(11)16-21-22-17(26-16)14-15(18)20-13-9-5-4-8-12(13)19-14;17-14-13(19-11-7-3-4-8-12(11)20-14)16-22-21-15(23-16)9-5-1-2-6-10(9)18/h2-9,23H,1H3;2-9,23H,1H3,(H2,18,20);1-8H,18H2.

What are the key properties of N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?

N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide has a molecular weight of 1107.98 g/mol, XLogP of 9.25, 10 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide;2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]aniline;N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 160884967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).