2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}phenyl benzenesulfonate

2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}phenyl benzenesulfonate

Formula: C21H17NO5S

SMILES: O=C1C2C3CC(C=C3)C2C(=O)N1C1=CC=CC=C1OS(=O)(=O)C1=CC=CC=C1

IUPAC: 2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}phenyl benzenesulfonate

InChI: InChI=1/C21H17NO5S/c23-20-18-13-10-11-14(12-13)19(18)21(24)22(20)16-8-4-5-9-17(16)27-28(25,26)15-6-2-1-3-7-15/h1-11,13-14,18-19H,12H2

Composition: C (63.79%), H (4.33%), N (3.54%), O (20.23%), S (8.11%)

Molar Mass: 395.43

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	395.082743825
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZZTMQFYXUCRZOR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.2
Topological Polar Surface Area	80.75
Polarizability	40.16
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H17NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00