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Home > Sulfanilamide > 869577-51-5
869577-51-5 | N-[4-[4-[(2-oxiranylmethyl)sulfonyl]phenoxy]phenyl]-methanesulfonamide
CAS No: 869577-51-5 Catalog No: AG01EPAQ MDL No:
Product Description
Catalog Number:
AG01EPAQ
Chemical Name:
N-[4-[4-[(2-oxiranylmethyl)sulfonyl]phenoxy]phenyl]-methanesulfonamide
CAS Number:
869577-51-5
Molecular Formula:
C16H17NO6S2
Molecular Weight:
383.4393
IUPAC Name:
N-[4-[4-(oxiran-2-ylmethylsulfonyl)phenoxy]phenyl]methanesulfonamide
InChI:
InChI=1S/C16H17NO6S2/c1-24(18,19)17-12-2-4-13(5-3-12)23-14-6-8-16(9-7-14)25(20,21)11-15-10-22-15/h2-9,15,17H,10-11H2,1H3
InChI Key:
ADEXXMLIERNFQB-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Nc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)CC1CO1
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.05g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.433g/mol
Monoisotopic Mass:
383.05g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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