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Home > Imidazoles > 309927-48-8
309927-48-8 | N-{4-[(2-methyl-4,5-dihydro-1H-imidazol-1-yl)sulfonyl]phenyl}acetamide
CAS No: 309927-48-8 Catalog No: AG00IRH7 MDL No:MFCD02007551
Product Description
Catalog Number:
AG00IRH7
Chemical Name:
N-{4-[(2-methyl-4,5-dihydro-1H-imidazol-1-yl)sulfonyl]phenyl}acetamide
CAS Number:
309927-48-8
Molecular Formula:
C12H15N3O3S
Molecular Weight:
281.3308
MDL Number:
MFCD02007551
IUPAC Name:
N-[4-[(2-methyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide
InChI:
InChI=1S/C12H15N3O3S/c1-9-13-7-8-15(9)19(17,18)12-5-3-11(4-6-12)14-10(2)16/h3-6H,7-8H2,1-2H3,(H,14,16)
InChI Key:
QTFYPNSDEAPRFW-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN=C1C
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.33g/mol
Monoisotopic Mass:
281.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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