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87472-05-7

87472-05-7 | Benzenesulfonamide, N-(2,3-dihydroxypropyl)-4-methyl-N-phenyl-

CAS No: 87472-05-7 Catalog No: AG004FNW MDL No:

Product Description

Catalog Number:
AG004FNW
Chemical Name:
Benzenesulfonamide, N-(2,3-dihydroxypropyl)-4-methyl-N-phenyl-
CAS Number:
87472-05-7
Molecular Formula:
C16H19NO4S
Molecular Weight:
321.3914
IUPAC Name:
N-(2,3-dihydroxypropyl)-4-methyl-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C16H19NO4S/c1-13-7-9-16(10-8-13)22(20,21)17(11-15(19)12-18)14-5-3-2-4-6-14/h2-10,15,18-19H,11-12H2,1H3
InChI Key:
SZZHBFQPFHLGOD-UHFFFAOYSA-N
SMILES:
OCC(CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1)O

Properties

Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.103g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.391g/mol
Monoisotopic Mass:
321.103g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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