Name: Name:Benzenesulfonamide, 4-pentyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-
Brand: Angene
SKU: AG003A3P
Rating: 90 (10 reviews)

Benzenesulfonamide, 4-pentyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-

CAS No.:

681213-48-9

Catalog Number:

AG003A3P

Molecular Formula:

C21H22F3N3O3S

Molecular Weight:

453.4779

Catalog Number:

AG003A3P

Chemical Name:

Benzenesulfonamide, 4-pentyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-

CAS Number:

681213-48-9

Molecular Formula:

C21H22F3N3O3S

Molecular Weight:

453.4779

MDL Number:

MFCD02180084

IUPAC Name:

4-pentyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide

InChI:

InChI=1S/C21H22F3N3O3S/c1-2-3-4-5-15-6-12-18(13-7-15)31(28,29)25-14-19-26-20(27-30-19)16-8-10-17(11-9-16)21(22,23)24/h6-13,25H,2-5,14H2,1H3

InChI Key:

JPOFPIGDTPRIIM-UHFFFAOYSA-N

SMILES:

CCCCCc1ccc(cc1)S(=O)(=O)NCc1onc(n1)c1ccc(cc1)C(F)(F)F

Complexity:

641

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

453.133g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

453.48g/mol

Monoisotopic Mass:

453.133g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6