PF-05198007

CAT: 0607-BA6997-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA6997-5.1Size:1 mL (10 mM in DMSO)

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CAS Number

1235406-19-5

Form

A solid

Molecular Formula

C19H12ClF4N5O3S2

Molecular Weight

533.91

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

CID 46841789

CAS Number	1235406-19-5
PubChem CID	46841789
IUPAC Name	4-[2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
Molecular Formula	C19H12ClF4N5O3S2
Molecular Weight	533.9
XLogP	4.5
Topological Polar Surface Area	160
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	808

SMILES

C1=CC(=C(C=C1C(F)(F)F)C2=C(NN=C2)N)OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=CSC=N4)F

InChI

InChI=1S/C19H12ClF4N5O3S2/c20-12-4-16(34(30,31)29-17-7-33-8-26-17)13(21)5-15(12)32-14-2-1-9(19(22,23)24)3-10(14)11-6-27-28-18(11)25/h1-8,29H,(H3,25,27,28)

InChIKey

QCDLGAPJZJODRJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1235406-19-5

CID: 46841789

Formula: C19H12ClF4N5O3S2

MW: 533.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	533.9
XLogP3	4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	533.0006220
Monoisotopic Mass	533.0006220
Topological Polar Surface Area	160 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	808
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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