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922505-81-5 | Ethanesulfonamide, N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]-
CAS No: 922505-81-5 Catalog No: AG0060SJ MDL No:
Product Description
Catalog Number:
AG0060SJ
Chemical Name:
Ethanesulfonamide, N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]-
CAS Number:
922505-81-5
Molecular Formula:
C14H15N3O2S
Molecular Weight:
289.3528
IUPAC Name:
N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide
InChI:
InChI=1S/C14H15N3O2S/c1-3-20(18,19)16-12-6-4-11(5-7-12)14-9-8-13(10-15)17(14)2/h4-9,16H,3H2,1-2H3
InChI Key:
ANODMLLRRSJHOJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(n1C)c1ccc(cc1)NS(=O)(=O)CC
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.353g/mol
Monoisotopic Mass:
289.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Novel progesterone receptor modulators: 4-aryl-phenylsulfonamides. | Bioorganic & medicinal chemistry letters 20121201 |
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