N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

C25H20FN3O4S — CID 57382744

IUPACN-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CC(Oc2ccccc2)C1
InChIInChI=1S/C25H20FN3O4S/c26-21-14-18(25(30)29-15-20(16-29)33-19-8-2-1-3-9-19)11-12-22(21)28-34(31,32)23-10-4-6-17-7-5-13-27-24(17)23/h1-14,20,28H,15-16H2
InChIKeyRCRONXRTECEXBO-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.08
Rot. Bonds6

About N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (PubChem CID 57382744) has the molecular formula C25H20FN3O4S and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
PubChem CID57382744
Molecular FormulaC25H20FN3O4S
Molecular Weight477.52 g/mol
Exact Mass477.12
IUPAC NameN-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CC(Oc2ccccc2)C1
InChIInChI=1S/C25H20FN3O4S/c26-21-14-18(25(30)29-15-20(16-29)33-19-8-2-1-3-9-19)11-12-22(21)28-34(31,32)23-10-4-6-17-7-5-13-27-24(17)23/h1-14,20,28H,15-16H2
InChIKeyRCRONXRTECEXBO-UHFFFAOYSA-N
XLogP4.08
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-fluoro-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-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (CID 57382744) is N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CC(Oc2ccccc2)C1.
What is the InChIKey of N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is RCRONXRTECEXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4S/c26-21-14-18(25(30)29-15-20(16-29)33-19-8-2-1-3-9-19)11-12-22(21)28-34(31,32)23-10-4-6-17-7-5-13-27-24(17)23/h1-14,20,28H,15-16H2.
What are the key properties of N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide has a molecular weight of 477.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 57382744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).