Name: Name:4-(2-(1-(Azetidin-3-yl)-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)-5-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Brand: Angene
SKU: AG00HU62
Rating: 90 (10 reviews)

4-(2-(1-(Azetidin-3-yl)-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)-5-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

CAS No.:

1354818-96-4

Catalog Number:

AG00HU62

Molecular Formula:

C21H15ClF4N6O3S2

Molecular Weight:

574.9588

Catalog Number:

AG00HU62

Chemical Name:

4-(2-(1-(Azetidin-3-yl)-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)-5-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

CAS Number:

1354818-96-4

Molecular Formula:

C21H15ClF4N6O3S2

Molecular Weight:

574.9588

MDL Number:

MFCD23106370

IUPAC Name:

4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-5-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

InChI:

InChI=1S/C21H15ClF4N6O3S2/c22-14-6-19(37(33,34)31-20-30-28-10-36-20)15(23)7-18(14)35-17-2-1-11(21(24,25)26)5-13(17)16-3-4-29-32(16)12-8-27-9-12/h1-7,10,12,27H,8-9H2,(H,30,31)

InChI Key:

XGPDJOZWOGPDLD-UHFFFAOYSA-N

SMILES:

Clc1cc(c(cc1Oc1ccc(cc1c1ccnn1C1CNC1)C(F)(F)F)F)S(=O)(=O)Nc1nncs1

Complexity:

899

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

574.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

574.954g/mol

Monoisotopic Mass:

574.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

148A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6