N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

C24H21ClN4O4S — CID 59826546

IUPACN-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)cc1
InChIInChI=1S/C24H21ClN4O4S/c1-33-13-12-27-34(31,32)18-9-6-16(7-10-18)24(30)28-17-8-11-20(25)19(14-17)23-15-26-21-4-2-3-5-22(21)29-23/h2-11,14-15,27H,12-13H2,1H3,(H,28,30)
InChIKeyPOISGGPBKROWQZ-UHFFFAOYSA-N
MW496.98 g/mol
LogP4.13
Rot. Bonds8

About N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 59826546) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID59826546
Molecular FormulaC24H21ClN4O4S
Molecular Weight496.98 g/mol
Exact Mass496.10
IUPAC NameN-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)cc1
InChIInChI=1S/C24H21ClN4O4S/c1-33-13-12-27-34(31,32)18-9-6-16(7-10-18)24(30)28-17-8-11-20(25)19(14-17)23-15-26-21-4-2-3-5-22(21)29-23/h2-11,14-15,27H,12-13H2,1H3,(H,28,30)
InChIKeyPOISGGPBKROWQZ-UHFFFAOYSA-N
XLogP4.13
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide
CID 58614881
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 59826588
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 35437620
2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 59826557
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(1-oxothiazinan-2-yl)benzamide
CID 144620837
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 59826576
N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide
CID 58227030
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 59826586

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (CID 59826546) is N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)cc1.
What is the InChIKey of N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is POISGGPBKROWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-33-13-12-27-34(31,32)18-9-6-16(7-10-18)24(30)28-17-8-11-20(25)19(14-17)23-15-26-21-4-2-3-5-22(21)29-23/h2-11,14-15,27H,12-13H2,1H3,(H,28,30).
What are the key properties of N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 496.98 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 59826546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).