Home Sulfos N-tert-butyl-3-(2-chloro-5-methylpyrimidin-4-ylamino)benzenesulfonamide

N-tert-butyl-3-(2-chloro-5-methylpyrimidin-4-ylamino)benzenesulfonamide

CAS No.:
936092-53-4
Catalog Number:
AG00H2YJ
Molecular Formula:
C15H19ClN4O2S
Molecular Weight:
354.8550
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Product Description
Catalog Number:
AG00H2YJ
Chemical Name:
N-tert-butyl-3-(2-chloro-5-methylpyrimidin-4-ylamino)benzenesulfonamide
CAS Number:
936092-53-4
Molecular Formula:
C15H19ClN4O2S
Molecular Weight:
354.8550
MDL Number:
MFCD16619372
IUPAC Name:
N-tert-butyl-3-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzenesulfonamide
InChI:
InChI=1S/C15H19ClN4O2S/c1-10-9-17-14(16)19-13(10)18-11-6-5-7-12(8-11)23(21,22)20-15(2,3)4/h5-9,20H,1-4H3,(H,17,18,19)
InChI Key:
VINYOUWDZHOVFB-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(=Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)[nH]1)C
Properties
Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.092g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
354.853g/mol
Monoisotopic Mass:
354.092g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties