4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C20H23N3O3S — CID 25110130

IUPAC4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCC(C)Cc1ccc(C(C)c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1
InChIInChI=1S/C20H23N3O3S/c1-13(2)12-15-4-6-16(7-5-15)14(3)20-22-19(23-26-20)17-8-10-18(11-9-17)27(21,24)25/h4-11,13-14H,12H2,1-3H3,(H2,21,24,25)
InChIKeyCVIZDSFKOKONNZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.73
Rot. Bonds6

About 4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 25110130) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID25110130
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCC(C)Cc1ccc(C(C)c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1
InChIInChI=1S/C20H23N3O3S/c1-13(2)12-15-4-6-16(7-5-15)14(3)20-22-19(23-26-20)17-8-10-18(11-9-17)27(21,24)25/h4-11,13-14H,12H2,1-3H3,(H2,21,24,25)
InChIKeyCVIZDSFKOKONNZ-UHFFFAOYSA-N
XLogP3.73
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 25110130) is 4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is CC(C)Cc1ccc(C(C)c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1.
What is the InChIKey of 4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is CVIZDSFKOKONNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13(2)12-15-4-6-16(7-5-15)14(3)20-22-19(23-26-20)17-8-10-18(11-9-17)27(21,24)25/h4-11,13-14H,12H2,1-3H3,(H2,21,24,25).
What are the key properties of 4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 25110130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).