CBiPES

CAT: 0607-BA5555-10Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA5555-10Size:10 mg

Selected

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

Quick Request Actions

CAS Number

353235-01-5

Form

A solid

Molecular Formula

C21H19N3O2S

Molecular Weight

377.46

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Cbipes

CAS Number	353235-01-5
PubChem CID	9864510
IUPAC Name	N-[3-(4-cyanophenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
Molecular Formula	C21H19N3O2S
Molecular Weight	377.5
XLogP	3.2
Topological Polar Surface Area	82.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	613

SMILES

CCS(=O)(=O)N(CC1=CN=CC=C1)C2=CC=CC(=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O2S/c1-2-27(25,26)24(16-18-5-4-12-23-15-18)21-7-3-6-20(13-21)19-10-8-17(14-22)9-11-19/h3-13,15H,2,16H2,1H3

InChIKey

HDVYXILCBYGKGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 353235-01-5

CID: 9864510

Formula: C21H19N3O2S

MW: 377.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.5
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	377.11979803
Monoisotopic Mass	377.11979803
Topological Polar Surface Area	82.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	613
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

Catalog	Name
C3728-5	Sp-5,6-dichloro-cBIMPS (sodium salt)
C3728-1	Sp-5,6-dichloro-cBIMPS (sodium salt)