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Home > Sulfanilamide > 941695-43-8
941695-43-8 | N-(4-ACETYLPHENYL)-4-HYDROXY-N-(4-METHOXYBENZYL)BENZENESULFONAMIDE
CAS No: 941695-43-8 Catalog No: AG005TCJ MDL No:
Product Description
Catalog Number:
AG005TCJ
Chemical Name:
N-(4-ACETYLPHENYL)-4-HYDROXY-N-(4-METHOXYBENZYL)BENZENESULFONAMIDE
CAS Number:
941695-43-8
Molecular Formula:
C22H21NO5S
Molecular Weight:
411.4708
IUPAC Name:
N-(4-acetylphenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
InChI:
InChI=1S/C22H21NO5S/c1-16(24)18-5-7-19(8-6-18)23(15-17-3-11-21(28-2)12-4-17)29(26,27)22-13-9-20(25)10-14-22/h3-14,25H,15H2,1-2H3
InChI Key:
MUPULPINKDHFSR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)O)c1ccc(cc1)C(=O)C
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.472g/mol
Monoisotopic Mass:
411.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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