N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide

C17H16N4O4S — CID 55511974

IUPACN-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)N(Cc3cccnc3)C3CC3)cc2[nH]c1=O
InChIInChI=1S/C17H16N4O4S/c22-16-17(23)20-15-8-13(5-6-14(15)19-16)26(24,25)21(12-3-4-12)10-11-2-1-7-18-9-11/h1-2,5-9,12H,3-4,10H2,(H,19,22)(H,20,23)
InChIKeyYJFKRUUANJIVRI-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.96
Rot. Bonds5

About N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide

N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 55511974) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID55511974
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)N(Cc3cccnc3)C3CC3)cc2[nH]c1=O
InChIInChI=1S/C17H16N4O4S/c22-16-17(23)20-15-8-13(5-6-14(15)19-16)26(24,25)21(12-3-4-12)10-11-2-1-7-18-9-11/h1-2,5-9,12H,3-4,10H2,(H,19,22)(H,20,23)
InChIKeyYJFKRUUANJIVRI-UHFFFAOYSA-N
XLogP0.96
TPSA115.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31075628
1-N,4-N-dicyclopropyl-4-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 55564950
N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 51204434
2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61042316
3-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 24732333
N-cyclopropyl-1-(oxan-4-yl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 71997817
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47268028
4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 118527402
4-fluoro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1165698
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate
CID 61460740
N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3184229

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide (CID 55511974) is N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)N(Cc3cccnc3)C3CC3)cc2[nH]c1=O.
What is the InChIKey of N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is YJFKRUUANJIVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-16-17(23)20-15-8-13(5-6-14(15)19-16)26(24,25)21(12-3-4-12)10-11-2-1-7-18-9-11/h1-2,5-9,12H,3-4,10H2,(H,19,22)(H,20,23).
What are the key properties of N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide?
N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 372.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 55511974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).