2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide

C19H20FN3O3S — CID 110310723

IUPAC2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1F)NCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H20FN3O3S/c20-17-10-5-4-7-15(17)12-14-27(24,25)21-13-6-11-18-22-19(23-26-18)16-8-2-1-3-9-16/h1-5,7-10,21H,6,11-14H2
InChIKeyMZIRDELRJAJMTP-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.97
Rot. Bonds9

About 2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide

2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide (PubChem CID 110310723) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide
PubChem CID110310723
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1F)NCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H20FN3O3S/c20-17-10-5-4-7-15(17)12-14-27(24,25)21-13-6-11-18-22-19(23-26-18)16-8-2-1-3-9-16/h1-5,7-10,21H,6,11-14H2
InChIKeyMZIRDELRJAJMTP-UHFFFAOYSA-N
XLogP2.97
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide
CID 110322590
4-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 4895698
2,3,4-trifluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323311
1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 110293678
N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110411078
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide
CID 110356377
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylethanesulfonamide
CID 110322890
4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide (CID 110310723) is 2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1F)NCCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide?
The InChIKey is MZIRDELRJAJMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c20-17-10-5-4-7-15(17)12-14-27(24,25)21-13-6-11-18-22-19(23-26-18)16-8-2-1-3-9-16/h1-5,7-10,21H,6,11-14H2.
What are the key properties of 2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide?
2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 110310723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).