4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide

C18H19N5O3S — CID 155811879

IUPAC4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H19N5O3S/c19-27(24,25)14-7-5-13(6-8-14)20-18-21-16-4-2-1-3-15(16)17(22-18)23-9-11-26-12-10-23/h1-8H,9-12H2,(H2,19,24,25)(H,20,21,22)
InChIKeyAYVQFCARDPEHSX-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.86
Rot. Bonds4

About 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide

4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide (PubChem CID 155811879) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide
PubChem CID155811879
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H19N5O3S/c19-27(24,25)14-7-5-13(6-8-14)20-18-21-16-4-2-1-3-15(16)17(22-18)23-9-11-26-12-10-23/h1-8H,9-12H2,(H2,19,24,25)(H,20,21,22)
InChIKeyAYVQFCARDPEHSX-UHFFFAOYSA-N
XLogP1.86
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide (CID 155811879) is 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide?
The InChIKey is AYVQFCARDPEHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c19-27(24,25)14-7-5-13(6-8-14)20-18-21-16-4-2-1-3-15(16)17(22-18)23-9-11-26-12-10-23/h1-8H,9-12H2,(H2,19,24,25)(H,20,21,22).
What are the key properties of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide?
4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 155811879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).