N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Formula: C20H25N3O4S

SMILES: CN1CCN(CC1)C1=CC=C(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1

IUPAC: N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

InChI: InChI=1S/C20H25N3O4S/c1-22-8-10-23(11-9-22)17-4-2-16(3-5-17)15-21-28(24,25)18-6-7-19-20(14-18)27-13-12-26-19/h2-7,14,21H,8-13,15H2,1H3

Composition: C (59.53%), H (6.25%), N (10.41%), O (15.86%), S (7.95%)

Molar Mass: 403.5

Atom Count: 53

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	403.156577471
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	COOQHPVJQSBNAQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.16
Topological Polar Surface Area	71.11
Polarizability	42.5
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H25N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00