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o-Toluenesulfonamide

CAT: 0572-TRC-T535880-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T535880-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88-19-7
Synonyms
2-Methylbenzenesulfonamide; o-Toluenesulfonamide; 2-Methylphenylsulfonamide; 2-Tolylsulfonamide; NSC 2185; Toluene-2-sulfonamide; o-Methylbenzenesulfonamide
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
Cc1ccccc1S(=O)(=O)N
Molecular Formula
C7 H9 N O2 S
Molecular Weight
171.22
InChI
InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
Additionnal Information
IUPAC name: 2-methylbenzenesulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Methylbenzenesulfonamide

saccharin impurity; starting material for preparation of saccharin; structure

CAS Number88-19-7
PubChem CID6924
IUPAC Name2-methylbenzenesulfonamide
Molecular FormulaC7H9NO2S
Molecular Weight171.22
XLogP0.8
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity217
SMILES
CC1=CC=CC=C1S(=O)(=O)N
InChI
InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey
YCMLQMDWSXFTIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylbenzenesulfonamide
CAS: 88-19-7
CID: 6924
Formula: C7H9NO2S
MW: 171.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.22
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass171.03539970
Monoisotopic Mass171.03539970
Topological Polar Surface Area68.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity217
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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