N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide

C20H14BrN3O3S — CID 75458763

IUPACN-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1[nH]c2ccccc2nc1-c1ccc(Br)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H14BrN3O3S/c21-13-10-11-15(19-20(25)23-17-9-5-4-8-16(17)22-19)18(12-13)24-28(26,27)14-6-2-1-3-7-14/h1-12,24H,(H,23,25)
InChIKeyKXPYJRHJXDQKCJ-UHFFFAOYSA-N
MW456.32 g/mol
LogP4.15
Rot. Bonds4

About N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide

N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide (PubChem CID 75458763) has the molecular formula C20H14BrN3O3S and a molecular weight of 456.32 g/mol. Its IUPAC name is N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
PubChem CID75458763
Molecular FormulaC20H14BrN3O3S
Molecular Weight456.32 g/mol
Exact Mass454.99
IUPAC NameN-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1[nH]c2ccccc2nc1-c1ccc(Br)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H14BrN3O3S/c21-13-10-11-15(19-20(25)23-17-9-5-4-8-16(17)22-19)18(12-13)24-28(26,27)14-6-2-1-3-7-14/h1-12,24H,(H,23,25)
InChIKeyKXPYJRHJXDQKCJ-UHFFFAOYSA-N
XLogP4.15
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.32
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide (CID 75458763) is N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide is O=c1[nH]c2ccccc2nc1-c1ccc(Br)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is KXPYJRHJXDQKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O3S/c21-13-10-11-15(19-20(25)23-17-9-5-4-8-16(17)22-19)18(12-13)24-28(26,27)14-6-2-1-3-7-14/h1-12,24H,(H,23,25).
What are the key properties of N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 456.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 75458763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).