Name: 4-(tert-butyl)-N-[4-(4-chlorophenyl)-3-(2-hydroxyethoxy)-1-methyl-1H-pyrazol-5-yl]benzenesulfonamide
SMILES:
Cn1nc(OCCO)c(-c2ccc(Cl)cc2)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1Molecular Processing
Molecular formula
C22H26ClN3O4S
Molecular weight
463.99
Exact mass
463.1333
XLogP
4.21
TPSA
93.45
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
122.19
Supplementary Information
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