N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide

C18H18ClN3O4S — CID 6493131

IUPACN-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide
SMILESCc1cc(Cl)ccc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C18H18ClN3O4S/c1-12-9-13(19)7-8-15(12)22(27(2,25)26)11-18(24)21-10-17(23)20-14-5-3-4-6-16(14)21/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyBCDPBGTWJHVKIS-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.40
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide

N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide (PubChem CID 6493131) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide
PubChem CID6493131
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC NameN-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide
SMILESCc1cc(Cl)ccc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C18H18ClN3O4S/c1-12-9-13(19)7-8-15(12)22(27(2,25)26)11-18(24)21-10-17(23)20-14-5-3-4-6-16(14)21/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyBCDPBGTWJHVKIS-UHFFFAOYSA-N
XLogP2.40
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzenesulfonamide
CID 51142515
N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50945050
N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55360109
1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 30222545
N-(4-chloro-2-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 51343656
N-(4-chloro-2-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 28589447
4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860757
4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide
CID 55689415
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 126032460
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 3700532

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide (CID 6493131) is N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide is Cc1cc(Cl)ccc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(C)(=O)=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide?
The InChIKey is BCDPBGTWJHVKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-12-9-13(19)7-8-15(12)22(27(2,25)26)11-18(24)21-10-17(23)20-14-5-3-4-6-16(14)21/h3-9H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide?
N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide has a molecular weight of 407.88 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 6493131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).