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Home > Sulfanilamide > 886499-11-2
886499-11-2 | N-(6-Formyl-benzo[1,3]dioxol-5-yl)-4-methyl-benzenesulfonamide
CAS No: 886499-11-2 Catalog No: AG01F6C4 MDL No:
Product Description
Catalog Number:
AG01F6C4
Chemical Name:
N-(6-Formyl-benzo[1,3]dioxol-5-yl)-4-methyl-benzenesulfonamide
CAS Number:
886499-11-2
Molecular Formula:
C15H13NO5S
Molecular Weight:
319.3324
IUPAC Name:
N-(6-formyl-1,3-benzodioxol-5-yl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C15H13NO5S/c1-10-2-4-12(5-3-10)22(18,19)16-13-7-15-14(20-9-21-15)6-11(13)8-17/h2-8,16H,9H2,1H3
InChI Key:
FIPZJZLYNHRRSG-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCOc2cc1NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.331g/mol
Monoisotopic Mass:
319.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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