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25200-26-4 | Benzamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]-4-(1,1-dimethylethyl)-
CAS No: 25200-26-4 Catalog No: AG002QVO MDL No:
Product Description
Catalog Number:
AG002QVO
Chemical Name:
Benzamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]-4-(1,1-dimethylethyl)-
CAS Number:
25200-26-4
Molecular Formula:
C19H24N2O3S
Molecular Weight:
360.4705
IUPAC Name:
4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
InChI:
InChI=1S/C19H24N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H2,20,23,24)
InChI Key:
ZPGYWZHPIGXUNA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)NCCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.151g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.472g/mol
Monoisotopic Mass:
360.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Carbonic anhydrase inhibitors: the beta-carbonic anhydrase from Helicobacter pylori is a new target for sulfonamide and sulfamate inhibitors. | Bioorganic & medicinal chemistry letters 20070701 |
| Carbonic anhydrase inhibitors: DNA cloning and inhibition studies of the alpha-carbonic anhydrase from Helicobacter pylori, a new target for developing sulfonamide and sulfamate gastric drugs. | Journal of medicinal chemistry 20060323 |
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