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15850-94-9 | Benzenesulfonamide, N-(6-ethoxy-2-benzothiazolyl)-
CAS No: 15850-94-9 Catalog No: AG001Q96 MDL No:MFCD02805711
Product Description
Catalog Number:
AG001Q96
Chemical Name:
Benzenesulfonamide, N-(6-ethoxy-2-benzothiazolyl)-
CAS Number:
15850-94-9
Molecular Formula:
C15H14N2O3S2
Molecular Weight:
334.4133
MDL Number:
MFCD02805711
IUPAC Name:
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
InChI:
InChI=1S/C15H14N2O3S2/c1-2-20-11-8-9-13-14(10-11)21-15(16-13)17-22(18,19)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,17)
InChI Key:
SMDTZLFVDJPWJS-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)NS(=O)(=O)c1ccccc1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.045g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.408g/mol
Monoisotopic Mass:
334.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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