Name: Name:3-Cyano-N-(2,4-dimethoxybenzyl)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
Brand: Angene
SKU: AG01DGHB
Rating: 90 (10 reviews)

3-Cyano-N-(2,4-dimethoxybenzyl)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

CAS No.:

1235406-41-3

Catalog Number:

AG01DGHB

Molecular Formula:

C18H15FN4O4S2

Molecular Weight:

434.4645

Catalog Number:

AG01DGHB

Chemical Name:

3-Cyano-N-(2,4-dimethoxybenzyl)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

CAS Number:

1235406-41-3

Molecular Formula:

C18H15FN4O4S2

Molecular Weight:

434.4645

MDL Number:

MFCD28972939

IUPAC Name:

3-cyano-N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

InChI:

InChI=1S/C18H15FN4O4S2/c1-26-14-4-3-12(17(8-14)27-2)10-23(18-21-11-22-28-18)29(24,25)15-5-6-16(19)13(7-15)9-20/h3-8,11H,10H2,1-2H3

InChI Key:

CESPBYKHQFWTEN-UHFFFAOYSA-N

SMILES:

COc1ccc(c(c1)OC)CN(S(=O)(=O)c1ccc(c(c1)C#N)F)c1ncns1

Complexity:

698

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

434.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

434.46g/mol

Monoisotopic Mass:

434.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

142A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1