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Home > Sulfanilamide > 94854-34-9
94854-34-9 | Benzenesulfonamide, N-(2,5-dihydroxyphenyl)-4-(octadecyloxy)-
CAS No: 94854-34-9 Catalog No: AG005U8P MDL No:
Product Description
Catalog Number:
AG005U8P
Chemical Name:
Benzenesulfonamide, N-(2,5-dihydroxyphenyl)-4-(octadecyloxy)-
CAS Number:
94854-34-9
Molecular Formula:
C30H47NO5S
Molecular Weight:
533.7629
IUPAC Name:
N-(2,5-dihydroxyphenyl)-4-octadecoxybenzenesulfonamide
InChI:
InChI=1S/C30H47NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-36-27-19-21-28(22-20-27)37(34,35)31-29-25-26(32)18-23-30(29)33/h18-23,25,31-33H,2-17,24H2,1H3
InChI Key:
JMOSPHHUYUMZJE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Nc1cc(O)ccc1O
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.317g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
533.768g/mol
Monoisotopic Mass:
533.317g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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