3-{2-[(4-chlorophenyl)sulfanyl]ethanesulfonyl}-N-[(3-{2-[(4-chlorophenyl)sulfanyl]ethanesulfonyl}propanamido)methyl]propanamide

3-{2-[(4-chlorophenyl)sulfanyl]ethanesulfonyl}-N-[(3-{2-[(4-chlorophenyl)sulfanyl]ethanesulfonyl}propanamido)methyl]propanamide

Formula: C23H28Cl2N2O6S4

SMILES: ClC1=CC=C(SCCS(=O)(=O)CCC(=O)NCNC(=O)CCS(=O)(=O)CCSC2=CC=C(Cl)C=C2)C=C1

IUPAC: 3-{2-[(4-chlorophenyl)sulfanyl]ethanesulfonyl}-N-[(3-{2-[(4-chlorophenyl)sulfanyl]ethanesulfonyl}propanamido)methyl]propanamide

InChI: InChI=1S/C23H28Cl2N2O6S4/c24-18-1-5-20(6-2-18)34-11-15-36(30,31)13-9-22(28)26-17-27-23(29)10-14-37(32,33)16-12-35-21-7-3-19(25)4-8-21/h1-8H,9-17H2,(H,26,28)(H,27,29)

Composition: C (44.02%), H (4.50%), Cl (11.30%), N (4.46%), O (15.29%), S (20.43%)

Molar Mass: 627.63

Atom Count: 65

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	626.0207267
Formal Charge	0
FSP3	0.39
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	IYCWIDWVKPWVCT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	151.46
Topological Polar Surface Area	126.48
Polarizability	60.91
Ring Count	2
Rotatable Bond Count	16

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H28Cl2N2O6S4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00