N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide

C23H21N3O4S — CID 26860472

IUPACN-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)cc1
InChIInChI=1S/C23H21N3O4S/c1-16-10-12-18(13-11-16)25(2)31(29,30)19-7-5-6-17(14-19)23(28)26-15-22(27)24-20-8-3-4-9-21(20)26/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyBNOMSYZHDGAUFF-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.42
Rot. Bonds4

About N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide

N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide (PubChem CID 26860472) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
PubChem CID26860472
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)cc1
InChIInChI=1S/C23H21N3O4S/c1-16-10-12-18(13-11-16)25(2)31(29,30)19-7-5-6-17(14-19)23(28)26-15-22(27)24-20-8-3-4-9-21(20)26/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyBNOMSYZHDGAUFF-UHFFFAOYSA-N
XLogP3.42
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 43004414
4-bromo-N-methyl-N-[[3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 59700592
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 16863940
3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 56561398

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide (CID 26860472) is N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
The InChIKey is BNOMSYZHDGAUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-16-10-12-18(13-11-16)25(2)31(29,30)19-7-5-6-17(14-19)23(28)26-15-22(27)24-20-8-3-4-9-21(20)26/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide?
N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 26860472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).