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339018-46-1 | (E)-2-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]ethene-1-sulfonamide
CAS No: 339018-46-1 Catalog No: AG00IYRQ MDL No:MFCD01443764
Product Description
Catalog Number:
AG00IYRQ
Chemical Name:
(E)-2-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]ethene-1-sulfonamide
CAS Number:
339018-46-1
Molecular Formula:
C14H13NO4S2
Molecular Weight:
323.3873
MDL Number:
MFCD01443764
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide
InChI:
InChI=1S/C14H13NO4S2/c16-21(17,15-9-12-2-1-6-20-12)7-5-11-3-4-13-14(8-11)19-10-18-13/h1-8,15H,9-10H2
InChI Key:
SKCOYEGVUIOGGQ-UHFFFAOYSA-N
SMILES:
O=S(=O)(NCc1cccs1)/C=C/c1ccc2c(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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