5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide

5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide

CAS: 209481-20-9

Formula: C20H22ClN3O3S2

SMILES: COC1=CC=C(NS(=O)(=O)C2=C(C)C3=CC(Cl)=CC=C3S2)C=C1N1CCNCC1

IUPAC: 5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide

InChI: InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3

Composition: C (53.15%), H (4.91%), Cl (7.84%), N (9.30%), O (10.62%), S (14.19%)

Molar Mass: 451.98

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	451.0791116
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	LOCQRDBFWSXQQI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.88
Topological Polar Surface Area	70.67
Polarizability	46.82
Ring Count	4
Rotatable Bond Count	4

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