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88095-62-9 | Benzenesulfonamide, N-[1-(phenylmethyl)-1H-pyrazol-4-yl]-
CAS No: 88095-62-9 Catalog No: AG008CM5 MDL No:
Product Description
Catalog Number:
AG008CM5
Chemical Name:
Benzenesulfonamide, N-[1-(phenylmethyl)-1H-pyrazol-4-yl]-
CAS Number:
88095-62-9
Molecular Formula:
C16H15N3O2S
Molecular Weight:
313.3742
IUPAC Name:
N-(1-benzylpyrazol-4-yl)benzenesulfonamide
InChI:
InChI=1S/C16H15N3O2S/c20-22(21,16-9-5-2-6-10-16)18-15-11-17-19(13-15)12-14-7-3-1-4-8-14/h1-11,13,18H,12H2
InChI Key:
RMWQMWUJQDMFGA-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Nc1cnn(c1)Cc1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.375g/mol
Monoisotopic Mass:
313.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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