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1,2-Diphenylethane-1-sulfonamide

CAT: 0926-UDC20976-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-UDC20976-01Size:50 mg
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CAS Number
1344209-76-2
MDL Number
MFCD17438285
Smiles
C1=CC=C (C=C1) CC (C2=CC=CC=C2) S (=O) (=O) N
Molecular Formula
C14H15NO2S
Molecular Weight
261.34 g/mol
Controlled
No

Chemical Information

1,2-Diphenylethane-1-sulfonamide
CAS Number1344209-76-2
PubChem CID62083680
IUPAC Name1,2-diphenylethanesulfonamide
Molecular FormulaC14H15NO2S
Molecular Weight261.34
XLogP2.4
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity335
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)S(=O)(=O)N
InChI
InChI=1S/C14H15NO2S/c15-18(16,17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,15,16,17)
InChIKey
FOFQZWWNSUAROF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Diphenylethane-1-sulfonamide
CAS: 1344209-76-2
CID: 62083680
Formula: C14H15NO2S
MW: 261.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight261.34
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass261.08234989
Monoisotopic Mass261.08234989
Topological Polar Surface Area68.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes