1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide

C15H19N5O3S — CID 75495669

IUPAC1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCC1C(=O)Nc2ccccc2N1CCNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C15H19N5O3S/c1-11-15(21)18-13-5-3-4-6-14(13)20(11)8-7-17-24(22,23)12-9-16-19(2)10-12/h3-6,9-11,17H,7-8H2,1-2H3,(H,18,21)
InChIKeyBWMDOZAERFRKBN-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.55
Rot. Bonds5

About 1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide

1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 75495669) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID75495669
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCC1C(=O)Nc2ccccc2N1CCNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C15H19N5O3S/c1-11-15(21)18-13-5-3-4-6-14(13)20(11)8-7-17-24(22,23)12-9-16-19(2)10-12/h3-6,9-11,17H,7-8H2,1-2H3,(H,18,21)
InChIKeyBWMDOZAERFRKBN-UHFFFAOYSA-N
XLogP0.55
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide (CID 75495669) is 1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide is CC1C(=O)Nc2ccccc2N1CCNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is BWMDOZAERFRKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-11-15(21)18-13-5-3-4-6-14(13)20(11)8-7-17-24(22,23)12-9-16-19(2)10-12/h3-6,9-11,17H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide?
1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 349.42 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 75495669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).