5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide

C20H19BrN4O4S — CID 174507091

IUPAC5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide
SMILESC[C@@H]1COCCN1C(=O)c1ccc(Br)cc1S(=O)(=O)Nc1cccc2nccnc12
InChIInChI=1S/C20H19BrN4O4S/c1-13-12-29-10-9-25(13)20(26)15-6-5-14(21)11-18(15)30(27,28)24-17-4-2-3-16-19(17)23-8-7-22-16/h2-8,11,13,24H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyAFMMUFOFTYGHAK-CYBMUJFWSA-N
MW491.37 g/mol
LogP3.05
Rot. Bonds4

About 5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide

5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide (PubChem CID 174507091) has the molecular formula C20H19BrN4O4S and a molecular weight of 491.37 g/mol. Its IUPAC name is 5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide
PubChem CID174507091
Molecular FormulaC20H19BrN4O4S
Molecular Weight491.37 g/mol
Exact Mass490.03
IUPAC Name5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide
SMILESC[C@@H]1COCCN1C(=O)c1ccc(Br)cc1S(=O)(=O)Nc1cccc2nccnc12
InChIInChI=1S/C20H19BrN4O4S/c1-13-12-29-10-9-25(13)20(26)15-6-5-14(21)11-18(15)30(27,28)24-17-4-2-3-16-19(17)23-8-7-22-16/h2-8,11,13,24H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyAFMMUFOFTYGHAK-CYBMUJFWSA-N
XLogP3.05
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide (CID 174507091) is 5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide is C[C@@H]1COCCN1C(=O)c1ccc(Br)cc1S(=O)(=O)Nc1cccc2nccnc12.
What is the InChIKey of 5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide?
The InChIKey is AFMMUFOFTYGHAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19BrN4O4S/c1-13-12-29-10-9-25(13)20(26)15-6-5-14(21)11-18(15)30(27,28)24-17-4-2-3-16-19(17)23-8-7-22-16/h2-8,11,13,24H,9-10,12H2,1H3/t13-/m1/s1.
What are the key properties of 5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide?
5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide has a molecular weight of 491.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3R)-3-methylmorpholine-4-carbonyl]-N-quinoxalin-5-ylbenzenesulfonamide is sourced from PubChem (CID 174507091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).