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180905-85-5 | 1H-Pyrrole-2-carboxylic acid, 1-[(2-fluorophenyl)sulfonyl]-, ethyl ester
CAS No: 180905-85-5 Catalog No: AG0022FZ MDL No:
Product Description
Catalog Number:
AG0022FZ
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-[(2-fluorophenyl)sulfonyl]-, ethyl ester
CAS Number:
180905-85-5
Molecular Formula:
C13H12FNO4S
Molecular Weight:
297.3021
IUPAC Name:
ethyl 1-(2-fluorophenyl)sulfonylpyrrole-2-carboxylate
InChI:
InChI=1S/C13H12FNO4S/c1-2-19-13(16)11-7-5-9-15(11)20(17,18)12-8-4-3-6-10(12)14/h3-9H,2H2,1H3
InChI Key:
YMKJWDSOMTUNAD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccn1S(=O)(=O)c1ccccc1F
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.3g/mol
Monoisotopic Mass:
297.047g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Sulfone derivatives with anti-HIV activity. | Farmaco (Societa chimica italiana : 1989) 19970501 |
| 2-Sulfonyl-4-chloroanilino moiety: a potent pharmacophore for the anti-human immunodeficiency virus type 1 activity of pyrrolyl aryl sulfones. | Journal of medicinal chemistry 19960119 |
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