HA-100 (C1) 5mg

CAT: 0628-A17019-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A17019-5Size:5 mg

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CAS Number

84468-24-6

Chemical Information

1-(5-Isoquinolinylsulfonyl)piperazine

5-(1-piperazinylsulfonyl)isoquinoline is a member of isoquinolines.

CAS Number	84468-24-6
PubChem CID	3545
IUPAC Name	5-piperazin-1-ylsulfonylisoquinoline
Molecular Formula	C13H15N3O2S
Molecular Weight	277.34
XLogP	0.6
Topological Polar Surface Area	70.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	401

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2

InChIKey

UPTYCYWTFGTCCG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84468-24-6

CID: 3545

Formula: C13H15N3O2S

MW: 277.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.34
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	277.08849790
Monoisotopic Mass	277.08849790
Topological Polar Surface Area	70.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	401
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
CB253-C1	Caprisil C1 HPLC Column, 5 µm, 100 Å, CB553-C1 x 100 mm
CB333-C1	Caprisil C1 HPLC Column, 3 µm, 100 Å, CB533-C1 x 100 mm
18604-100μg	Anti-HCV C1 - 100 μg
LHC17022012	C1 ELECTRONIC MICROPIPETTE VOL 05-100μL
BGT0C10010000B	TIPS C1 10000μl Bulk 100 Pcs
CC253-C1	Caprisil C1 HPLC Column, 5 µm, 100 Å, CC553-C1 x 150 mm
CC233-C1	Caprisil C1 HPLC Column, 3 µm, 100 Å, CC533-C1 x 150 mm
CX233-C1	Caprisil C1 HPLC Column, 3 µm, 100 Å, CX533-C1 x 125 mm
CY233-C1	Caprisil C1 HPLC Column, 3 µm, 100 Å, CY533-C1 x 75 mm
CA233-C1	Caprisil C1 HPLC Column, 3 µm, 100 Å, CA533-C1 x 50 mm