Enpp-1-IN-1

CAT: 0607-BA8150-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8150-1Size:1 mg

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

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CAS Number

2289728-58-9

Form

A solid

Molecular Formula

C17H17N3O3S

Molecular Weight

343.40

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Enpp-1-IN-1

CAS Number	2289728-58-9
PubChem CID	137524159
IUPAC Name	7-methoxy-4-[4-[(sulfamoylamino)methyl]phenyl]quinoline
Molecular Formula	C17H17N3O3S
Molecular Weight	343.4
XLogP	2
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	500

SMILES

COC1=CC2=NC=CC(=C2C=C1)C3=CC=C(C=C3)CNS(=O)(=O)N

InChI

InChI=1S/C17H17N3O3S/c1-23-14-6-7-16-15(8-9-19-17(16)10-14)13-4-2-12(3-5-13)11-20-24(18,21)22/h2-10,20H,11H2,1H3,(H2,18,21,22)

InChIKey

UEJMNZDIQDULLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2289728-58-9

CID: 137524159

Formula: C17H17N3O3S

MW: 343.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	343.4
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	343.09906259
Monoisotopic Mass	343.09906259
Topological Polar Surface Area	103 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	500
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