N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

C18H19N3O5S — CID 110396500

IUPACN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c(C)c1
InChIInChI=1S/C18H19N3O5S/c1-12-11-13(26-2)7-8-16(12)27(24,25)19-9-10-21-15-6-4-3-5-14(15)20-17(22)18(21)23/h3-8,11,19H,9-10H2,1-2H3,(H,20,22)
InChIKeyORJLRDQMKGORJR-UHFFFAOYSA-N
MW389.43 g/mol
LogP0.99
Rot. Bonds6

About N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 110396500) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID110396500
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c(C)c1
InChIInChI=1S/C18H19N3O5S/c1-12-11-13(26-2)7-8-16(12)27(24,25)19-9-10-21-15-6-4-3-5-14(15)20-17(22)18(21)23/h3-8,11,19H,9-10H2,1-2H3,(H,20,22)
InChIKeyORJLRDQMKGORJR-UHFFFAOYSA-N
XLogP0.99
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400804
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110396504
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110396503
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
CID 110396484
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110396494
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404573
4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789435
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400828
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 42267769

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (CID 110396500) is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c(C)c1.
What is the InChIKey of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is ORJLRDQMKGORJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-12-11-13(26-2)7-8-16(12)27(24,25)19-9-10-21-15-6-4-3-5-14(15)20-17(22)18(21)23/h3-8,11,19H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 110396500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).