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4-Phenylsulfonylaniline

CAT: 0572-TRC-P336790-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P336790-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7019-01-4
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Nc1ccc(cc1)S(=O)(=O)c2ccccc2
Molecular Formula
C12 H11 N O2 S
Molecular Weight
233.29
InChI
InChI=1S/C12H11NO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H,13H2
Additionnal Information
IUPAC name: 4-(benzenesulfonyl)aniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-(Phenylsulfonyl)aniline
CAS Number7019-01-4
PubChem CID516666
IUPAC Name4-(benzenesulfonyl)aniline
Molecular FormulaC12H11NO2S
Molecular Weight233.29
XLogP1.8
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity306
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H11NO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H,13H2
InChIKey
GDYFDXDATVPPDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Phenylsulfonyl)aniline
CAS: 7019-01-4
CID: 516666
Formula: C12H11NO2S
MW: 233.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.29
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass233.05104977
Monoisotopic Mass233.05104977
Topological Polar Surface Area68.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity306
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