2-{N-[(4-chlorophenyl)methyl]-4-chlorobenzenesulfonamido}-N-(oxolan-2-ylmethyl)acetamide

2-{N-[(4-chlorophenyl)methyl]-4-chlorobenzenesulfonamido}-N-(oxolan-2-ylmethyl)acetamide

Formula: C20H22Cl2N2O4S

SMILES: ClC1=CC=C(CN(CC(=O)NCC2CCCO2)S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1

IUPAC: 2-{N-[(4-chlorophenyl)methyl]-4-chlorobenzenesulfonamido}-N-[(oxolan-2-yl)methyl]acetamide

InChI: InChI=1/C20H22Cl2N2O4S/c21-16-5-3-15(4-6-16)13-24(14-20(25)23-12-18-2-1-11-28-18)29(26,27)19-9-7-17(22)8-10-19/h3-10,18H,1-2,11-14H2,(H,23,25)

Composition: C (52.52%), H (4.85%), Cl (15.50%), N (6.13%), O (13.99%), S (7.01%)

Molar Mass: 457.37

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	456.0677338
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HVSDHVIHFIDTAM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.29
Topological Polar Surface Area	75.71
Polarizability	44.92
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22Cl2N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00