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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Related Compounds

N-(2-Chloro-5-(3-(piperazin-1-yl)quinoxalin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44608429
N-[2-chloro-5-[3-(2-methoxyethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608432
N-[2-chloro-5-(3-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609387
N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609388
N-[2-chloro-5-[3-[2-methoxyethyl(methyl)amino]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610162
N-[2-chloro-5-[3-(4,4-difluoropiperidin-1-yl)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
CID 44610163
N-[2-chloro-5-(3-piperidin-1-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610316
N-[2-chloro-5-[3-(2-phenylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610483
1-[4-(Diaminomethylideneamino)sulfonylphenyl]-3-[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
CID 137658179
1-[4-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 137658961
N-[5-[3-[benzyl(methyl)amino]quinoxalin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608115
N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608118

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).