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GSK137647A 10mg

CAT: 0628-A14542-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A14542-10Size:10 mg
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CAS Number
349085-82-1

Chemical Information

4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CAS Number349085-82-1
PubChem CID743974
IUPAC Name4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
Molecular FormulaC16H19NO3S
Molecular Weight305.4
XLogP3.5
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity411
SMILES
CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OC)C
InChI
InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
InChIKey
FQUAFMNPXPXOJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CAS: 349085-82-1
CID: 743974
Formula: C16H19NO3S
MW: 305.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight305.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass305.10856464
Monoisotopic Mass305.10856464
Topological Polar Surface Area63.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity411
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