Название: N-[6-chloro-5-(4-chlorophenyl)pyrimidin-4-yl]-2-thiophen-2-ylethanesulfonamide

SMILES: C1=CSC(=C1)CCS(=O)(=O)NC2=C(C(=NC=N2)Cl)C3=CC=C(C=C3)Cl

Molecular Processing

Molecular formula

C16H13Cl2N3O2S2

Molecular weight

414.34

Exact mass

412.9826

XLogP

4.5

TPSA

71.95

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.125

Molar refractivity

102.92

Supplementary Information

InChIKey: JSYWHOQERXRKDK-UHFFFAOYSA-N

Синонимы

JSYWHOQERXRKDK-UHFFFAOYSA-N2-thiophen-2-yl-ethanesulfonic acid [6-chloro-5-(4-chloro-phenyl)-pyrimidin-4-yl]-amide