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66279-16-1 | Benzenesulfonamide, N-(1,1-dioxidobenzo[b]thien-6-yl)-
CAS No: 66279-16-1 Catalog No: AG006O2K MDL No:
Product Description
Catalog Number:
AG006O2K
Chemical Name:
Benzenesulfonamide, N-(1,1-dioxidobenzo[b]thien-6-yl)-
CAS Number:
66279-16-1
Molecular Formula:
C14H11NO4S2
Molecular Weight:
321.3714
IUPAC Name:
N-(1,1-dioxo-1-benzothiophen-6-yl)benzenesulfonamide
InChI:
InChI=1S/C14H11NO4S2/c16-20(17)9-8-11-6-7-12(10-14(11)20)15-21(18,19)13-4-2-1-3-5-13/h1-10,15H
InChI Key:
MNKZDONJLAWWKF-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Nc1ccc2c(c1)S(=O)(=O)C=C2
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.365g/mol
Monoisotopic Mass:
321.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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