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Home > Sulfanilamide > 130016-98-7
130016-98-7 | 1-Butanesulfonamide, N-[4-[4-cyano-2-(2-furanylmethylene)-2,5-dihydro-5-oxo-3-furanyl]phenyl]-
CAS No: 130016-98-7 Catalog No: AG000TX8 MDL No:
Product Description
Catalog Number:
AG000TX8
Chemical Name:
1-Butanesulfonamide, N-[4-[4-cyano-2-(2-furanylmethylene)-2,5-dihydro-5-oxo-3-furanyl]phenyl]-
CAS Number:
130016-98-7
Molecular Formula:
C20H18N2O5S
Molecular Weight:
398.4323
IUPAC Name:
N-[4-[4-cyano-2-(furan-2-ylmethylidene)-5-oxofuran-3-yl]phenyl]butane-1-sulfonamide
InChI:
InChI=1S/C20H18N2O5S/c1-2-3-11-28(24,25)22-15-8-6-14(7-9-15)19-17(13-21)20(23)27-18(19)12-16-5-4-10-26-16/h4-10,12,22H,2-3,11H2,1H3
InChI Key:
DESLCFKWTJEBGT-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)Nc1ccc(cc1)C1=C(C#N)C(=O)OC1=Cc1ccco1
EC Number:
423-250-6
Properties
Complexity:
807
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.094g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.433g/mol
Monoisotopic Mass:
398.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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