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2-Chlorobenzylsulfonamide

CAT: 0926-PDA66579-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-PDA66579-01Size:100 mg
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CAS Number
89665-79-2
MDL Number
MFCD01240452
Smiles
C1=CC=C (C (=C1) CS (=O) (=O) N) Cl
Molecular Formula
C7H8ClNO2S
Molecular Weight
205.66 g/mol
Controlled
No

Chemical Information

2-Chlorobenzylsulfonamide

potent hypolipidemic agent in rodent; shown to lower serum cholesterol & serum triglyceride levels in mice

CAS Number89665-79-2
PubChem CID146065
IUPAC Name(2-chlorophenyl)methanesulfonamide
Molecular FormulaC7H8ClNO2S
Molecular Weight205.66
XLogP1.1
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity234
SMILES
C1=CC=C(C(=C1)CS(=O)(=O)N)Cl
InChI
InChI=1S/C7H8ClNO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKey
LOGLVGABKVIWBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chlorobenzylsulfonamide
CAS: 89665-79-2
CID: 146065
Formula: C7H8ClNO2S
MW: 205.66
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.66
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass204.9964274
Monoisotopic Mass204.9964274
Topological Polar Surface Area68.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity234
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