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2,4'-Diaminophenyl Sulfone

CAT: 0572-TRC-D416595-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D416595-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27147-69-9
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
O=S(C1=C(N)C=CC=C1)(C2=CC=C(N)C=C2)=O
Molecular Formula
C12 H12 N2 O2 S
Molecular Weight
248.30088
InChI
InChI=1S/C12H12N2O2S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8H,13-14H2
Additionnal Information
IUPAC name: 2-(4-aminophenyl)sulfonylaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(4-Aminophenyl)sulfonylaniline
CAS Number27147-69-9
PubChem CID458049
IUPAC Name2-(4-aminophenyl)sulfonylaniline
Molecular FormulaC12H12N2O2S
Molecular Weight248.30
XLogP1.6
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity342
SMILES
C1=CC=C(C(=C1)N)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2O2S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8H,13-14H2
InChIKey
BYVOGVXITRNMSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Aminophenyl)sulfonylaniline
CAS: 27147-69-9
CID: 458049
Formula: C12H12N2O2S
MW: 248.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.30
XLogP31.6
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
Complexity342
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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