SN-011

CAT: 0607-BA6264-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6264-50Size:50 mg

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

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CAS Number

2249435-90-1

Form

A solid

Molecular Formula

C25H19FN2O4S

Molecular Weight

462.49

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-(3-(4-fluorobenzenesulfonamido)-4-hydroxyphenyl)-(1,1'-biphenyl)-4-carboxamide

CAS Number	2249435-90-1
PubChem CID	138005721
IUPAC Name	N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide
Molecular Formula	C25H19FN2O4S
Molecular Weight	462.5
XLogP	4.7
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	736

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H19FN2O4S/c26-20-10-13-22(14-11-20)33(31,32)28-23-16-21(12-15-24(23)29)27-25(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-16,28-29H,(H,27,30)

InChIKey

GPXQUPCJIJBXHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2249435-90-1

CID: 138005721

Formula: C25H19FN2O4S

MW: 462.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	462.5
XLogP3	4.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	462.10495643
Monoisotopic Mass	462.10495643
Topological Polar Surface Area	104 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	736
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