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Home > Sulfanilamide > 834889-13-3
834889-13-3 | Benzenesulfonamide, 4-methyl-N-[1-[(1-oxopropoxy)methyl]undecyl]-
CAS No: 834889-13-3 Catalog No: AG0059DI MDL No:
Product Description
Catalog Number:
AG0059DI
Chemical Name:
Benzenesulfonamide, 4-methyl-N-[1-[(1-oxopropoxy)methyl]undecyl]-
CAS Number:
834889-13-3
Molecular Formula:
C22H37NO4S
Molecular Weight:
411.5985
IUPAC Name:
2-[(4-methylphenyl)sulfonylamino]dodecyl propanoate
InChI:
InChI=1S/C22H37NO4S/c1-4-6-7-8-9-10-11-12-13-20(18-27-22(24)5-2)23-28(25,26)21-16-14-19(3)15-17-21/h14-17,20,23H,4-13,18H2,1-3H3
InChI Key:
PXZQREKKRQZMLV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(NS(=O)(=O)c1ccc(cc1)C)COC(=O)CC
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.244g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.601g/mol
Monoisotopic Mass:
411.244g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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