N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide

C21H21N3O5S — CID 57382917

IUPACN-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(C)(O)C1
InChIInChI=1S/C21H21N3O5S/c1-21(26)12-24(13-21)20(25)16-9-8-15(11-17(16)29-2)23-30(27,28)18-7-3-5-14-6-4-10-22-19(14)18/h3-11,23,26H,12-13H2,1-2H3
InChIKeyLCJRZKBNARHZMK-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.25
Rot. Bonds5

About N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide

N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide (PubChem CID 57382917) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
PubChem CID57382917
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(C)(O)C1
InChIInChI=1S/C21H21N3O5S/c1-21(26)12-24(13-21)20(25)16-9-8-15(11-17(16)29-2)23-30(27,28)18-7-3-5-14-6-4-10-22-19(14)18/h3-11,23,26H,12-13H2,1-2H3
InChIKeyLCJRZKBNARHZMK-UHFFFAOYSA-N
XLogP2.25
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]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-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide (CID 57382917) is N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide is COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(C)(O)C1.
What is the InChIKey of N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide?
The InChIKey is LCJRZKBNARHZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-21(26)12-24(13-21)20(25)16-9-8-15(11-17(16)29-2)23-30(27,28)18-7-3-5-14-6-4-10-22-19(14)18/h3-11,23,26H,12-13H2,1-2H3.
What are the key properties of N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide?
N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide has a molecular weight of 427.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 57382917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).