2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide

C19H20N4O3S — CID 660776

IUPAC2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C19H20N4O3S/c1-14-6-2-5-9-17(14)27(24,25)22-18-19(23-10-12-26-13-11-23)21-16-8-4-3-7-15(16)20-18/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyJGEQBBQMFIMTQM-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide

2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide (PubChem CID 660776) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide
PubChem CID660776
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C19H20N4O3S/c1-14-6-2-5-9-17(14)27(24,25)22-18-19(23-10-12-26-13-11-23)21-16-8-4-3-7-15(16)20-18/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyJGEQBBQMFIMTQM-UHFFFAOYSA-N
XLogP2.58
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide (CID 660776) is 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide?
The InChIKey is JGEQBBQMFIMTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-6-2-5-9-17(14)27(24,25)22-18-19(23-10-12-26-13-11-23)21-16-8-4-3-7-15(16)20-18/h2-9H,10-13H2,1H3,(H,20,22).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide?
2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide is sourced from PubChem (CID 660776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).