N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide

C18H19N3O3S — CID 2989398

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-14(2)21(25(22,23)16-11-7-4-8-12-16)13-17-19-18(20-24-17)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyUHKWGMWSSKKGIZ-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.34
Rot. Bonds6

About N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 2989398) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID2989398
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-14(2)21(25(22,23)16-11-7-4-8-12-16)13-17-19-18(20-24-17)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyUHKWGMWSSKKGIZ-UHFFFAOYSA-N
XLogP3.34
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 2989398) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UHKWGMWSSKKGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-14(2)21(25(22,23)16-11-7-4-8-12-16)13-17-19-18(20-24-17)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2989398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).