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Home > Imidazoles > 258526-72-6
258526-72-6 | Ethanesulfonamide, N-[3-(1H-imidazol-4-ylmethyl)-2-methylphenyl]-
CAS No: 258526-72-6 Catalog No: AG006VIZ MDL No:
Product Description
Catalog Number:
AG006VIZ
Chemical Name:
Ethanesulfonamide, N-[3-(1H-imidazol-4-ylmethyl)-2-methylphenyl]-
CAS Number:
258526-72-6
Molecular Formula:
C13H17N3O2S
Molecular Weight:
279.3580
IUPAC Name:
N-[3-(1H-imidazol-5-ylmethyl)-2-methylphenyl]ethanesulfonamide
InChI:
InChI=1S/C13H17N3O2S/c1-3-19(17,18)16-13-6-4-5-11(10(13)2)7-12-8-14-9-15-12/h4-6,8-9,16H,3,7H2,1-2H3,(H,14,15)
InChI Key:
HZHOPJIZCQDHMZ-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)Nc1cccc(c1C)Cc1nc[nH]c1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.358g/mol
Monoisotopic Mass:
279.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and structure-activity studies on N-[5-(1H-imidazol-4-yl)-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide, an imidazole-containing alpha(1A)-adrenoceptor agonist. | Journal of medicinal chemistry 20040603 |
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