CN1C(=CC=N1)C2=C(C=CC(=C2)Cl)OC3=C(C=C(C=C3)S(=O)(=O)NC4=NC=CS4)C#N
Name: 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILES: CN1C(=CC=N1)C2=C(C=CC(=C2)Cl)OC3=C(C=C(C=C3)S(=O)(=O)NC4=NC=CS4)C#N

Molecular Processing

Molecular formula
C20H14ClN5O3S2
Molecular weight
471.95
Exact mass
471.0227
XLogP
4.66
TPSA
109.9
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
117.81

Supplementary Information

InChIKey: YMDYEZDQWPWAFN-UHFFFAOYSA-N
Synonyme
CHEMBL2321909SCHEMBL1092984YMDYEZDQWPWAFN-UHFFFAOYSA-NBDBM50489948PD1902064-[4-Chloro-2-(1-methyl-1H-pyrazol-5-yl)phenoxy]-3-cyano-N-1,3-thiazol-2-ylbenzenesulfonamide
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