2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C21H23FN4O4S — CID 50842206

IUPAC2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccccc1-c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C21H23FN4O4S/c22-17-6-3-5-16(15-17)20-24-21(30-25-20)18-7-1-2-8-19(18)31(27,28)23-9-4-10-26-11-13-29-14-12-26/h1-3,5-8,15,23H,4,9-14H2
InChIKeyGFDBBPSTHWEJMH-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.54
Rot. Bonds8

About 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 50842206) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID50842206
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccccc1-c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C21H23FN4O4S/c22-17-6-3-5-16(15-17)20-24-21(30-25-20)18-7-1-2-8-19(18)31(27,28)23-9-4-10-26-11-13-29-14-12-26/h1-3,5-8,15,23H,4,9-14H2
InChIKeyGFDBBPSTHWEJMH-UHFFFAOYSA-N
XLogP2.54
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 92899978
2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 50842176
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridin-2-amine
CID 53126785
N-[3-(azepan-1-yl)propyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50839253
N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50841890
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16665633
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 50841866
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46096716
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 50842206) is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is O=S(=O)(NCCCN1CCOCC1)c1ccccc1-c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is GFDBBPSTHWEJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c22-17-6-3-5-16(15-17)20-24-21(30-25-20)18-7-1-2-8-19(18)31(27,28)23-9-4-10-26-11-13-29-14-12-26/h1-3,5-8,15,23H,4,9-14H2.
What are the key properties of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 446.50 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 50842206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).