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736940-27-5 | "5-(4-chlorophthalazin-1-yl)-N,2-dimethylbenzenesulfonamide"
CAS No: 736940-27-5 Catalog No: AG01FN3O MDL No:MFCD03990467
Product Description
Catalog Number:
AG01FN3O
Chemical Name:
"5-(4-chlorophthalazin-1-yl)-N,2-dimethylbenzenesulfonamide"
CAS Number:
736940-27-5
Molecular Formula:
C16H14ClN3O2S
Molecular Weight:
347.8193
MDL Number:
MFCD03990467
IUPAC Name:
5-(4-chlorophthalazin-1-yl)-N,2-dimethylbenzenesulfonamide
InChI:
InChI=1S/C16H14ClN3O2S/c1-10-7-8-11(9-14(10)23(21,22)18-2)15-12-5-3-4-6-13(12)16(17)20-19-15/h3-9,18H,1-2H3
InChI Key:
AGUKMYOVAYYXLN-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Cl
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.05g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.817g/mol
Monoisotopic Mass:
347.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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