N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide

C19H17BrN4O4S — CID 11363566

IUPACN-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide
SMILESO=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1
InChIInChI=1S/C19H17BrN4O4S/c20-13-4-5-14(19(25)24-8-10-28-11-9-24)16(12-13)23-29(26,27)17-3-1-2-15-18(17)22-7-6-21-15/h1-7,12,23H,8-11H2
InChIKeyXLPBDVOLLCXXJA-UHFFFAOYSA-N
MW477.34 g/mol
LogP2.67
Rot. Bonds4

About N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide

N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide (PubChem CID 11363566) has the molecular formula C19H17BrN4O4S and a molecular weight of 477.34 g/mol. Its IUPAC name is N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide
PubChem CID11363566
Molecular FormulaC19H17BrN4O4S
Molecular Weight477.34 g/mol
Exact Mass476.02
IUPAC NameN-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide
SMILESO=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1
InChIInChI=1S/C19H17BrN4O4S/c20-13-4-5-14(19(25)24-8-10-28-11-9-24)16(12-13)23-29(26,27)17-3-1-2-15-18(17)22-7-6-21-15/h1-7,12,23H,8-11H2
InChIKeyXLPBDVOLLCXXJA-UHFFFAOYSA-N
XLogP2.67
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
The IUPAC name of N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide (CID 11363566) is N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
The canonical SMILES for N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide is O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1.
What is the InChIKey of N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
The InChIKey is XLPBDVOLLCXXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O4S/c20-13-4-5-14(19(25)24-8-10-28-11-9-24)16(12-13)23-29(26,27)17-3-1-2-15-18(17)22-7-6-21-15/h1-7,12,23H,8-11H2.
What are the key properties of N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide has a molecular weight of 477.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 11363566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).