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113515-22-3 | 2-Pyrimidinesulfonamide, N-(2-chloro-6-methylphenyl)-4,6-dimethyl-
CAS No: 113515-22-3 Catalog No: AG0008VB MDL No:
Product Description
Catalog Number:
AG0008VB
Chemical Name:
2-Pyrimidinesulfonamide, N-(2-chloro-6-methylphenyl)-4,6-dimethyl-
CAS Number:
113515-22-3
Molecular Formula:
C13H14ClN3O2S
Molecular Weight:
311.7872
IUPAC Name:
N-(2-chloro-6-methylphenyl)-4,6-dimethylpyrimidine-2-sulfonamide
InChI:
InChI=1S/C13H14ClN3O2S/c1-8-5-4-6-11(14)12(8)17-20(18,19)13-15-9(2)7-10(3)16-13/h4-7,17H,1-3H3
InChI Key:
QAELKEBDHVOFJG-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(n1)S(=O)(=O)Nc1c(C)cccc1Cl
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.784g/mol
Monoisotopic Mass:
311.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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