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

C19H20N4O3S — CID 2305758

IUPAC4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-6-8-15(9-7-14)27(24,25)22-18-19(23-10-12-26-13-11-23)21-17-5-3-2-4-16(17)20-18/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyZCCXNHVYUBXBJT-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.58
Rot. Bonds4

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

4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide (PubChem CID 2305758) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide
PubChem CID2305758
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-6-8-15(9-7-14)27(24,25)22-18-19(23-10-12-26-13-11-23)21-17-5-3-2-4-16(17)20-18/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyZCCXNHVYUBXBJT-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 4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide (CID 2305758) is 4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide?
The InChIKey is ZCCXNHVYUBXBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-6-8-15(9-7-14)27(24,25)22-18-19(23-10-12-26-13-11-23)21-17-5-3-2-4-16(17)20-18/h2-9H,10-13H2,1H3,(H,20,22).
What are the key properties of 4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide?
4-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 4-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)benzenesulfonamide is sourced from PubChem (CID 2305758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).