1-[1-(2-nitrobenzenesulfonyl)piperidine-3-carbonyl]azepane

1-[1-(2-nitrobenzenesulfonyl)piperidine-3-carbonyl]azepane

Formula: C18H25N3O5S

SMILES: [O-][N+](=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C1)C(=O)N1CCCCCC1

IUPAC: 1-[1-(2-nitrobenzenesulfonyl)piperidine-3-carbonyl]azepane

InChI: InChI=1/C18H25N3O5S/c22-18(19-11-5-1-2-6-12-19)15-8-7-13-20(14-15)27(25,26)17-10-4-3-9-16(17)21(23)24/h3-4,9-10,15H,1-2,5-8,11-14H2

Composition: C (54.67%), H (6.37%), N (10.63%), O (20.23%), S (8.11%)

Molar Mass: 395.47

Atom Count: 52

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	395.151492091
Formal Charge	0
FSP3	0.61
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	PULXZQMXPATGJB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.92
Topological Polar Surface Area	100.83
Polarizability	39.4
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H25N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00