3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide

C18H18N4O3S — CID 44526685

IUPAC3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C18H18N4O3S/c19-26(23,24)15-3-1-2-13(10-15)14-4-5-16-17(11-14)21-18(12-20-16)22-6-8-25-9-7-22/h1-5,10-12H,6-9H2,(H2,19,23,24)
InChIKeyOOSAFBWVRUMCBZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.78
Rot. Bonds3

About 3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide

3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide (PubChem CID 44526685) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
PubChem CID44526685
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C18H18N4O3S/c19-26(23,24)15-3-1-2-13(10-15)14-4-5-16-17(11-14)21-18(12-20-16)22-6-8-25-9-7-22/h1-5,10-12H,6-9H2,(H2,19,23,24)
InChIKeyOOSAFBWVRUMCBZ-UHFFFAOYSA-N
XLogP1.78
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide?
The IUPAC name of 3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide (CID 44526685) is 3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1.
What is the InChIKey of 3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide?
The InChIKey is OOSAFBWVRUMCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c19-26(23,24)15-3-1-2-13(10-15)14-4-5-16-17(11-14)21-18(12-20-16)22-6-8-25-9-7-22/h1-5,10-12H,6-9H2,(H2,19,23,24).
What are the key properties of 3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide?
3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide is sourced from PubChem (CID 44526685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).