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Benzenesulfono-m-toluidide

CAT: 0013-GTR19223849-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223849-01Size:25 mg
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Description
Benzenesulfono-m-toluidide is a bioactive small molecule utilized in biochemical research. It serves as a key compound in studies investigating sulfonamide interactions and has been referenced in both in vitro enzyme assays and pharmacological research models.
CAS Number
13587-57-0
Smiles
O=S (=O) (NC1=CC=CC (=C1) C) C=2C=CC=CC2
Molecular Formula
C13H13NO2S
Molecular Weight
247.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3-Methylphenyl)benzenesulfonamide
CAS Number13587-57-0
PubChem CID202958
IUPAC NameN-(3-methylphenyl)benzenesulfonamide
Molecular FormulaC13H13NO2S
Molecular Weight247.31
XLogP2.9
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity328
SMILES
CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H13NO2S/c1-11-6-5-7-12(10-11)14-17(15,16)13-8-3-2-4-9-13/h2-10,14H,1H3
InChIKey
HZGIAHQDIKAYKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Methylphenyl)benzenesulfonamide
CAS: 13587-57-0
CID: 202958
Formula: C13H13NO2S
MW: 247.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.31
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass247.06669983
Monoisotopic Mass247.06669983
Topological Polar Surface Area54.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity328
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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