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89-29-2 | Benzenesulfonamide,3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
CAS No: 89-29-2 Catalog No: AG00414I MDL No:MFCD00035707
Product Description
Catalog Number:
AG00414I
Chemical Name:
Benzenesulfonamide,3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
CAS Number:
89-29-2
Molecular Formula:
C10H11N3O3S
Molecular Weight:
253.2776
MDL Number:
MFCD00035707
IUPAC Name:
3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide
InChI:
InChI=1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16)
InChI Key:
ASVVGQURNHNITH-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1)c1cccc(c1)S(=O)(=O)N
EC Number:
201-895-2
NSC Number:
15355
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.276g/mol
Monoisotopic Mass:
253.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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