EN450

CAT: 0127-BUP09348-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP09348-02Size:10 mg

Selected

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

Quick Request Actions

CAS Number

793719-01-4

Purity

=98%

Smiles

O=C(C=C)NC1=CC(=CC=C1Cl)S(=O)(=O)N(C)C

Chemical Information

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]prop-2-enamide

CAS Number	793719-01-4
PubChem CID	4877041
IUPAC Name	N-[2-chloro-5-(dimethylsulfamoyl)phenyl]prop-2-enamide
Molecular Formula	C11H13ClN2O3S
Molecular Weight	288.75
XLogP	1.3
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	416

SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C=C

InChI

InChI=1S/C11H13ClN2O3S/c1-4-11(15)13-10-7-8(5-6-9(10)12)18(16,17)14(2)3/h4-7H,1H2,2-3H3,(H,13,15)

InChIKey

OXFXDOLAQBMOPH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 793719-01-4

CID: 4877041

Formula: C11H13ClN2O3S

MW: 288.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.75
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	288.0335411
Monoisotopic Mass	288.0335411
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	416
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
BUP18848-01	EN460