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1145-60-4 | Benzenesulfonamide, 4-(phenylmethyl)-
CAS No: 1145-60-4 Catalog No: AG000EKX MDL No:
Product Description
Catalog Number:
AG000EKX
Chemical Name:
Benzenesulfonamide, 4-(phenylmethyl)-
CAS Number:
1145-60-4
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
IUPAC Name:
4-benzylbenzenesulfonamide
InChI:
InChI=1S/C13H13NO2S/c14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,15,16)
InChI Key:
XIXRYMWTIKMPJU-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ccc(cc1)Cc1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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