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B355252 50mg

CAT: 0628-A22086-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A22086-50Size:50 mg
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CAS Number
1261576-81-1

Chemical Information

4-Chloro-N-(naphthalen-1-ylmethyl)-5-(3-(piperazin-1-yl)phenoxy)thiophene-2-sulfonamide
CAS Number1261576-81-1
PubChem CID52912652
IUPAC Name4-chloro-N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
Molecular FormulaC25H24ClN3O3S2
Molecular Weight514.1
XLogP5.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity761
SMILES
C1CN(CCN1)C2=CC(=CC=C2)OC3=C(C=C(S3)S(=O)(=O)NCC4=CC=CC5=CC=CC=C54)Cl
InChI
InChI=1S/C25H24ClN3O3S2/c26-23-16-24(34(30,31)28-17-19-7-3-6-18-5-1-2-10-22(18)19)33-25(23)32-21-9-4-8-20(15-21)29-13-11-27-12-14-29/h1-10,15-16,27-28H,11-14,17H2
InChIKey
YAAVQYDOVJQDFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-N-(naphthalen-1-ylmethyl)-5-(3-(piperazin-1-yl)phenoxy)thiophene-2-sulfonamide
CAS: 1261576-81-1
CID: 52912652
Formula: C25H24ClN3O3S2
MW: 514.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.1
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass513.0947617
Monoisotopic Mass513.0947617
Topological Polar Surface Area107 Ų
Heavy Atom Count34
Formal Charge0
Complexity761
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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