JH-LPH-33

CAT: 0607-BA1379-1Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA1379-1Size:1 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2414590-04-6

Form

A solid

Molecular Formula

C21H21ClF3N3O3S

Molecular Weight

487.92

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

JH-Lph-33

CAS Number	2414590-04-6
PubChem CID	145946109
IUPAC Name	1-[5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
Molecular Formula	C21H21ClF3N3O3S
Molecular Weight	487.9
XLogP	3.6
Topological Polar Surface Area	69.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	798

SMILES

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C21H21ClF3N3O3S/c1-14(29)28-5-4-15-10-19(2-3-20(15)28)32(30,31)27-8-6-26(7-9-27)18-12-16(21(23,24)25)11-17(22)13-18/h2-3,10-13H,4-9H2,1H3

InChIKey

PDEIRNVIXFZSSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2414590-04-6

CID: 145946109

Formula: C21H21ClF3N3O3S

MW: 487.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	487.9
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	487.0944249
Monoisotopic Mass	487.0944249
Topological Polar Surface Area	69.3 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	798
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