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Home > Sulfanilamide > 478067-33-3
478067-33-3 | (E)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-methylthiophen-2-yl)ethene-1-sulfonamide
CAS No: 478067-33-3 Catalog No: AG00IQLA MDL No:MFCD01815147
Product Description
Catalog Number:
AG00IQLA
Chemical Name:
(E)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-methylthiophen-2-yl)ethene-1-sulfonamide
CAS Number:
478067-33-3
Molecular Formula:
C15H15NO4S2
Molecular Weight:
337.4139
MDL Number:
MFCD01815147
IUPAC Name:
(E)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide
InChI:
InChI=1S/C15H15NO4S2/c1-11-4-6-21-15(11)5-7-22(17,18)16-9-12-2-3-13-14(8-12)20-10-19-13/h2-8,16H,9-10H2,1H3/b7-5+
InChI Key:
LVLSGAXIRFKQGM-FNORWQNLSA-N
SMILES:
Cc1ccsc1/C=C/S(=O)(=O)NCc1ccc2c(c1)OCO2
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
337.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.408g/mol
Monoisotopic Mass:
337.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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