N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide

C21H16ClN3O3S — CID 75458531

IUPACN-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C21H16ClN3O3S/c1-13-6-9-15(10-7-13)29(27,28)25-19-12-14(22)8-11-16(19)20-21(26)24-18-5-3-2-4-17(18)23-20/h2-12,25H,1H3,(H,24,26)
InChIKeyLSINHLJDKIVZBD-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.35
Rot. Bonds4

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

N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 75458531) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID75458531
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C21H16ClN3O3S/c1-13-6-9-15(10-7-13)29(27,28)25-19-12-14(22)8-11-16(19)20-21(26)24-18-5-3-2-4-17(18)23-20/h2-12,25H,1H3,(H,24,26)
InChIKeyLSINHLJDKIVZBD-UHFFFAOYSA-N
XLogP4.35
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide
CID 3163417
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide
CID 100654599
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 75454348
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
CID 2426865
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide
CID 71901581

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide (CID 75458531) is N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is LSINHLJDKIVZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-13-6-9-15(10-7-13)29(27,28)25-19-12-14(22)8-11-16(19)20-21(26)24-18-5-3-2-4-17(18)23-20/h2-12,25H,1H3,(H,24,26).
What are the key properties of N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide?
N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 425.90 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 75458531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).