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477711-46-9 | N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CAS No: 477711-46-9 Catalog No: AG00IOR5 MDL No:MFCD01815031
Product Description
Catalog Number:
AG00IOR5
Chemical Name:
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CAS Number:
477711-46-9
Molecular Formula:
C19H21N3O3S
Molecular Weight:
371.4533
MDL Number:
MFCD01815031
IUPAC Name:
N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide
InChI:
InChI=1S/C19H21N3O3S/c1-15-18(13-14-20-26(23,24)17-11-7-4-8-12-17)19(22(2)21-15)25-16-9-5-3-6-10-16/h3-12,20H,13-14H2,1-2H3
InChI Key:
XITCIVUKWSTNBX-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1CCNS(=O)(=O)c1ccccc1)Oc1ccccc1)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.13g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.455g/mol
Monoisotopic Mass:
371.13g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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