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956744-47-1 | N-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide
CAS No: 956744-47-1 Catalog No: AG019P4L MDL No:MFCD07311403
Product Description
Catalog Number:
AG019P4L
Chemical Name:
N-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide
CAS Number:
956744-47-1
Molecular Formula:
C12H15N3O2S
Molecular Weight:
265.3314
MDL Number:
MFCD07311403
IUPAC Name:
N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
InChI:
InChI=1S/C12H15N3O2S/c1-10(2)15-12(8-9-13-15)14-18(16,17)11-6-4-3-5-7-11/h3-10,14H,1-2H3
InChI Key:
KCRGZHIZBLOUJL-UHFFFAOYSA-N
SMILES:
CC(n1nccc1NS(=O)(=O)c1ccccc1)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.331g/mol
Monoisotopic Mass:
265.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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