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664985-98-2 | N-(4-Methyl-benzylidene)-benzenesulfonamide
CAS No: 664985-98-2 Catalog No: AG01FB3S MDL No:
Product Description
Catalog Number:
AG01FB3S
Chemical Name:
N-(4-Methyl-benzylidene)-benzenesulfonamide
CAS Number:
664985-98-2
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
IUPAC Name:
(NE)-N-[(4-methylphenyl)methylidene]benzenesulfonamide
InChI:
InChI=1S/C14H13NO2S/c1-12-7-9-13(10-8-12)11-15-18(16,17)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+
InChI Key:
LBPXERJAGSIVOP-RVDMUPIBSA-N
SMILES:
Cc1ccc(cc1)/C=N/S(=O)(=O)c1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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