N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide

C21H25N5O3S — CID 6471959

IUPACN-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25N5O3S/c27-30(28,17-7-2-1-3-8-17)25-21-20(23-18-9-4-5-10-19(18)24-21)22-11-6-12-26-13-15-29-16-14-26/h1-5,7-10H,6,11-16H2,(H,22,23)(H,24,25)
InChIKeyQPXCXHRXEFXRJW-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.56
Rot. Bonds8

About N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide

N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 6471959) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID6471959
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25N5O3S/c27-30(28,17-7-2-1-3-8-17)25-21-20(23-18-9-4-5-10-19(18)24-21)22-11-6-12-26-13-15-29-16-14-26/h1-5,7-10H,6,11-16H2,(H,22,23)(H,24,25)
InChIKeyQPXCXHRXEFXRJW-UHFFFAOYSA-N
XLogP2.56
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide (CID 6471959) is N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1NCCCN1CCOCC1)c1ccccc1.
What is the InChIKey of N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is QPXCXHRXEFXRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c27-30(28,17-7-2-1-3-8-17)25-21-20(23-18-9-4-5-10-19(18)24-21)22-11-6-12-26-13-15-29-16-14-26/h1-5,7-10H,6,11-16H2,(H,22,23)(H,24,25).
What are the key properties of N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 6471959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).