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339018-68-7 | (E)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(thiophen-2-yl)ethene-1-sulfonamide
CAS No: 339018-68-7 Catalog No: AG00IQL8 MDL No:MFCD01443776
Product Description
Catalog Number:
AG00IQL8
Chemical Name:
(E)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(thiophen-2-yl)ethene-1-sulfonamide
CAS Number:
339018-68-7
Molecular Formula:
C14H13NO4S2
Molecular Weight:
323.3873
MDL Number:
MFCD01443776
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-ylethenesulfonamide
InChI:
InChI=1S/C14H13NO4S2/c16-21(17,7-5-12-2-1-6-20-12)15-9-11-3-4-13-14(8-11)19-10-18-13/h1-8,15H,9-10H2
InChI Key:
IXCZRKHDTQBFHF-UHFFFAOYSA-N
SMILES:
O=S(=O)(/C=C/c1cccs1)NCc1ccc2c(c1)OCO2
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.029g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.381g/mol
Monoisotopic Mass:
323.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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