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Home > Sulfanilamide > 1253527-91-1
1253527-91-1 | N-{[4-(benzyloxy)phenyl]methyl}-4-phenoxybenzene-1-sulfonamide
CAS No: 1253527-91-1 Catalog No: AG00JWFO MDL No:MFCD17168338
Product Description
Catalog Number:
AG00JWFO
Chemical Name:
N-{[4-(benzyloxy)phenyl]methyl}-4-phenoxybenzene-1-sulfonamide
CAS Number:
1253527-91-1
Molecular Formula:
C26H23NO4S
Molecular Weight:
445.5301
MDL Number:
MFCD17168338
IUPAC Name:
4-phenoxy-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
InChI:
InChI=1S/C26H23NO4S/c28-32(29,26-17-15-25(16-18-26)31-24-9-5-2-6-10-24)27-19-21-11-13-23(14-12-21)30-20-22-7-3-1-4-8-22/h1-18,27H,19-20H2
InChI Key:
OQUOOCZCVUITFU-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)Oc1ccccc1)NCc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.135g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
445.533g/mol
Monoisotopic Mass:
445.135g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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