(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide

C19H18FN3O3S — CID 49245500

IUPAC(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC(C)c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-13-3-5-15(6-4-13)11-12-27(24,25)23-14(2)19-21-18(22-26-19)16-7-9-17(20)10-8-16/h3-12,14,23H,1-2H3/b12-11+
InChIKeyORVMPWUUWCSTDC-VAWYXSNFSA-N
MW387.44 g/mol
LogP3.84
Rot. Bonds6

About (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 49245500) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID49245500
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC(C)c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-13-3-5-15(6-4-13)11-12-27(24,25)23-14(2)19-21-18(22-26-19)16-7-9-17(20)10-8-16/h3-12,14,23H,1-2H3/b12-11+
InChIKeyORVMPWUUWCSTDC-VAWYXSNFSA-N
XLogP3.84
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide (CID 49245500) is (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NC(C)c2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is ORVMPWUUWCSTDC-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13-3-5-15(6-4-13)11-12-27(24,25)23-14(2)19-21-18(22-26-19)16-7-9-17(20)10-8-16/h3-12,14,23H,1-2H3/b12-11+.
What are the key properties of (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 49245500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).