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

C20H15N3O3S — CID 75454348

IUPACN-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1[nH]c2ccccc2nc1-c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H15N3O3S/c24-20-19(21-17-11-4-5-12-18(17)22-20)14-7-6-8-15(13-14)23-27(25,26)16-9-2-1-3-10-16/h1-13,23H,(H,22,24)
InChIKeyCRCACKDTBFJOQM-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.39
Rot. Bonds4

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

N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide (PubChem CID 75454348) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
PubChem CID75454348
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1[nH]c2ccccc2nc1-c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H15N3O3S/c24-20-19(21-17-11-4-5-12-18(17)22-20)14-7-6-8-15(13-14)23-27(25,26)16-9-2-1-3-10-16/h1-13,23H,(H,22,24)
InChIKeyCRCACKDTBFJOQM-UHFFFAOYSA-N
XLogP3.39
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide
CID 100580950
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 7187743
N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 75458763
3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 11738152
2-(benzenesulfonamido)-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
CID 121040702
3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 52669079
N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one
CID 135585445
N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 75458531
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
CID 46379462
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
CID 50822907

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide (CID 75454348) is N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide is O=c1[nH]c2ccccc2nc1-c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is CRCACKDTBFJOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-20-19(21-17-11-4-5-12-18(17)22-20)14-7-6-8-15(13-14)23-27(25,26)16-9-2-1-3-10-16/h1-13,23H,(H,22,24).
What are the key properties of N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 377.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 75454348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).