N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

C25H21N3O4S — CID 67987516

IUPACN-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(Oc2ccccc2)C1
InChIInChI=1S/C25H21N3O4S/c29-25(28-16-22(17-28)32-21-8-2-1-3-9-21)19-11-13-20(14-12-19)27-33(30,31)23-10-4-6-18-7-5-15-26-24(18)23/h1-15,22,27H,16-17H2
InChIKeyUSLSUKRZLZOLHO-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.94
Rot. Bonds6

About N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (PubChem CID 67987516) has the molecular formula C25H21N3O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
PubChem CID67987516
Molecular FormulaC25H21N3O4S
Molecular Weight459.53 g/mol
Exact Mass459.13
IUPAC NameN-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(Oc2ccccc2)C1
InChIInChI=1S/C25H21N3O4S/c29-25(28-16-22(17-28)32-21-8-2-1-3-9-21)19-11-13-20(14-12-19)27-33(30,31)23-10-4-6-18-7-5-15-26-24(18)23/h1-15,22,27H,16-17H2
InChIKeyUSLSUKRZLZOLHO-UHFFFAOYSA-N
XLogP3.94
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide 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 N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (CID 67987516) is N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(Oc2ccccc2)C1.
What is the InChIKey of N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is USLSUKRZLZOLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S/c29-25(28-16-22(17-28)32-21-8-2-1-3-9-21)19-11-13-20(14-12-19)27-33(30,31)23-10-4-6-18-7-5-15-26-24(18)23/h1-15,22,27H,16-17H2.
What are the key properties of N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide has a molecular weight of 459.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 67987516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).