ethyl 4-(2-{N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamido}acetyl)piperazine-1-carboxylate

ethyl 4-(2-{N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamido}acetyl)piperazine-1-carboxylate

Formula: C23H28ClN3O5S

SMILES: CCOC(=O)N1CCN(CC1)C(=O)CN(CC1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: ethyl 4-(2-{N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamido}acetyl)piperazine-1-carboxylate

InChI: InChI=1S/C23H28ClN3O5S/c1-3-32-23(29)26-14-12-25(13-15-26)22(28)17-27(16-19-6-8-20(24)9-7-19)33(30,31)21-10-4-18(2)5-11-21/h4-11H,3,12-17H2,1-2H3

Composition: C (55.92%), H (5.71%), Cl (7.18%), N (8.51%), O (16.19%), S (6.49%)

Molar Mass: 494

Atom Count: 61

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	493.1438199
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GTCOGRSDSAAOPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	126.86
Topological Polar Surface Area	87.23
Polarizability	49.69
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H28ClN3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00