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165328-39-2 | Benzenesulfonamide, 4-[2-(3,4-dichlorophenyl)-1-cyclopenten-1-yl]-
CAS No: 165328-39-2 Catalog No: AG001W2P MDL No:
Product Description
Catalog Number:
AG001W2P
Chemical Name:
Benzenesulfonamide, 4-[2-(3,4-dichlorophenyl)-1-cyclopenten-1-yl]-
CAS Number:
165328-39-2
Molecular Formula:
C17H15Cl2NO2S
Molecular Weight:
368.2775
IUPAC Name:
4-[2-(3,4-dichlorophenyl)cyclopenten-1-yl]benzenesulfonamide
InChI:
InChI=1S/C17H15Cl2NO2S/c18-16-9-6-12(10-17(16)19)15-3-1-2-14(15)11-4-7-13(8-5-11)23(20,21)22/h4-10H,1-3H2,(H2,20,21,22)
InChI Key:
XMYNRFMUTJHHIC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)C1=C(CCC1)c1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.02g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.272g/mol
Monoisotopic Mass:
367.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis. | Journal of medicinal chemistry 20010927 |
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