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

C20H14ClN3O3S — CID 7187743

IUPACN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1[nH]c2ccccc2nc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H14ClN3O3S/c21-13-10-11-16(24-28(26,27)14-6-2-1-3-7-14)15(12-13)19-20(25)23-18-9-5-4-8-17(18)22-19/h1-12,24H,(H,23,25)
InChIKeyPFTIOKLJPJMHJY-UHFFFAOYSA-N
MW411.87 g/mol
LogP4.04
Rot. Bonds4

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

N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide (PubChem CID 7187743) has the molecular formula C20H14ClN3O3S and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
PubChem CID7187743
Molecular FormulaC20H14ClN3O3S
Molecular Weight411.87 g/mol
Exact Mass411.04
IUPAC NameN-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1[nH]c2ccccc2nc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H14ClN3O3S/c21-13-10-11-16(24-28(26,27)14-6-2-1-3-7-14)15(12-13)19-20(25)23-18-9-5-4-8-17(18)22-19/h1-12,24H,(H,23,25)
InChIKeyPFTIOKLJPJMHJY-UHFFFAOYSA-N
XLogP4.04
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.04
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]ethanesulfonamide
CID 3163417
N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 75458531
N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 75458763
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 75454348
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide
CID 71901581
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide
CID 100654599
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)benzenesulfonamide
CID 10501747
3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 11738152
2-(4-chlorophenoxy)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 7187733

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide (CID 7187743) is N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide is O=c1[nH]c2ccccc2nc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is PFTIOKLJPJMHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3S/c21-13-10-11-16(24-28(26,27)14-6-2-1-3-7-14)15(12-13)19-20(25)23-18-9-5-4-8-17(18)22-19/h1-12,24H,(H,23,25).
What are the key properties of N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide?
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 411.87 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7187743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).