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Home > Sulfanilamide > 1164544-53-9
1164544-53-9 | (E)-2-(2H-1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethene-1-sulfonamide
CAS No: 1164544-53-9 Catalog No: AG00IYYJ MDL No:MFCD01443793
Product Description
Catalog Number:
AG00IYYJ
Chemical Name:
(E)-2-(2H-1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethene-1-sulfonamide
CAS Number:
1164544-53-9
Molecular Formula:
C17H17NO5S
Molecular Weight:
347.3856
MDL Number:
MFCD01443793
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
InChI:
InChI=1S/C17H17NO5S/c1-21-15-4-2-3-14(9-15)11-18-24(19,20)8-7-13-5-6-16-17(10-13)23-12-22-16/h2-10,18H,11-12H2,1H3
InChI Key:
FFLHANPOTKFFKB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CNS(=O)(=O)/C=C/c1ccc2c(c1)OCO2
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.385g/mol
Monoisotopic Mass:
347.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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