SBI-425 1mg

CAT: 0628-A18581-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A18581-1Size:1 mg

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CAS Number

1451272-71-1

Chemical Information

5-((5-Chloro-2-methoxyphenyl)sulfonamido)nicotinamide

CAS Number	1451272-71-1
PubChem CID	89768286
IUPAC Name	5-[(5-chloro-2-methoxyphenyl)sulfonylamino]pyridine-3-carboxamide
Molecular Formula	C13H12ClN3O4S
Molecular Weight	341.77
XLogP	0.9
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	496

SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=CN=CC(=C2)C(=O)N

InChI

InChI=1S/C13H12ClN3O4S/c1-21-11-3-2-9(14)5-12(11)22(19,20)17-10-4-8(13(15)18)6-16-7-10/h2-7,17H,1H3,(H2,15,18)

InChIKey

SBAITEDLNTYIOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1451272-71-1

CID: 89768286

Formula: C13H12ClN3O4S

MW: 341.77

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	341.77
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	341.0237047
Monoisotopic Mass	341.0237047
Topological Polar Surface Area	120 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	496
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