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Bis(2-aminophenyl) Sulfone

CAT: 0572-TRC-B405530-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B405530-100MGSize:100 mg
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CAS Number
53347-49-2
Hazard Statement
No Data Available
Smiles
Nc1ccccc1S(=O)(=O)c2ccccc2N
Molecular Formula
C12 H12 N2 O2 S
Molecular Weight
248.301
InChI
InChI=1S/C12H12N2O2S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h1-8H,13-14H2
Additionnal Information
IUPAC name: 2-(2-aminophenyl)sulfonylaniline
Shipping Conditions
Room Temperature

Chemical Information

Benzenamine, 2,2'-sulfonylbis-
CAS Number53347-49-2
PubChem CID148620
IUPAC Name2-(2-aminophenyl)sulfonylaniline
Molecular FormulaC12H12N2O2S
Molecular Weight248.30
XLogP2.1
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity322
SMILES
C1=CC=C(C(=C1)N)S(=O)(=O)C2=CC=CC=C2N
InChI
InChI=1S/C12H12N2O2S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChIKey
MYEWQUYMRFSJHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenamine, 2,2'-sulfonylbis-
CAS: 53347-49-2
CID: 148620
Formula: C12H12N2O2S
MW: 248.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.30
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass248.06194880
Monoisotopic Mass248.06194880
Topological Polar Surface Area94.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity322
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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