2-[(4-chlorophenyl)(4-methyl-1,1-dioxo-1??,2-benzothiazol-3-yl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate

2-[(4-chlorophenyl)(4-methyl-1,1-dioxo-1??,2-benzothiazol-3-yl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate

Formula: C28H28ClN3O6S2

SMILES: CC1=CC=CC2=C1C(=NS2(=O)=O)N(CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N1CCCCC1)C1=CC=C(Cl)C=C1

IUPAC: 2-[(4-chlorophenyl)(4-methyl-1,1-dioxo-1??,2-benzothiazol-3-yl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate

InChI: InChI=1S/C28H28ClN3O6S2/c1-20-6-5-7-25-26(20)27(30-39(25,34)35)32(23-12-10-22(29)11-13-23)18-19-38-28(33)21-8-14-24(15-9-21)40(36,37)31-16-3-2-4-17-31/h5-15H,2-4,16-19H2,1H3

Composition: C (55.85%), H (4.69%), Cl (5.89%), N (6.98%), O (15.94%), S (10.65%)

Molar Mass: 602.12

Atom Count: 68

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	601.1108057
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	TUCCMQHZOADDFB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	154.99
Topological Polar Surface Area	113.42
Polarizability	60.32
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H28ClN3O6S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00