N-{2-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-N-(3-methoxyphenyl)benzenesulfonamide

N-{2-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-N-(3-methoxyphenyl)benzenesulfonamide

Formula: C27H29N3O6S

SMILES: COC1=CC=CC(=C1)N(CC(=O)N1CCN(CC2=CC=C3OCOC3=C2)CC1)S(=O)(=O)C1=CC=CC=C1

IUPAC: N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-(3-methoxyphenyl)benzenesulfonamide

InChI: InChI=1S/C27H29N3O6S/c1-34-23-7-5-6-22(17-23)30(37(32,33)24-8-3-2-4-9-24)19-27(31)29-14-12-28(13-15-29)18-21-10-11-25-26(16-21)36-20-35-25/h2-11,16-17H,12-15,18-20H2,1H3

Composition: C (61.94%), H (5.58%), N (8.03%), O (18.33%), S (6.12%)

Molar Mass: 523.6

Atom Count: 66

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	523.17770684
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	XNSVLZGUVDWERK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.38
Topological Polar Surface Area	88.62
Polarizability	54.68
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29N3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00