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3-CHLOROBENZENESULFONAMIDE

CAT: 0013-GTR19256380-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256380-01Size:200 mg
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Description
3-CHLOROBENZENESULFONAMIDE, with CAS No. 17260-71-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 3-CHLOROBENZENESULFONAMIDE provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
17260-71-8
Product Name Alternative
3CHLOROBENZENESULFONAMIDE, 3 CHLOROBENZENESULFONAMIDE
Smiles
NS (=O) (=O) c1cccc (Cl) c1
Molecular Formula
C6H6ClNO2S
Molecular Weight
191.635
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Chlorobenzenesulfonamide
CAS Number17260-71-8
PubChem CID519377
IUPAC Name3-chlorobenzenesulfonamide
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64
XLogP1.3
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity221
SMILES
C1=CC(=CC(=C1)Cl)S(=O)(=O)N
InChI
InChI=1S/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
WSYQJNPRQUFCGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chlorobenzenesulfonamide
CAS: 17260-71-8
CID: 519377
Formula: C6H6ClNO2S
MW: 191.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.64
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass190.9807773
Monoisotopic Mass190.9807773
Topological Polar Surface Area68.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity221
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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