1-[(2-methylphenyl)methyl]-4-(4-nitrobenzenesulfonyl)piperazine

1-[(2-methylphenyl)methyl]-4-(4-nitrobenzenesulfonyl)piperazine

Formula: C18H21N3O4S

SMILES: CC1=CC=CC=C1CN1CCN(CC1)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 1-[(2-methylphenyl)methyl]-4-(4-nitrobenzenesulfonyl)piperazine

InChI: InChI=1S/C18H21N3O4S/c1-15-4-2-3-5-16(15)14-19-10-12-20(13-11-19)26(24,25)18-8-6-17(7-9-18)21(22)23/h2-9H,10-14H2,1H3

Composition: C (57.58%), H (5.64%), N (11.19%), O (17.05%), S (8.54%)

Molar Mass: 375.44

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	375.125277342
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	LDGNRTSBFCQXGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.03
Topological Polar Surface Area	83.76
Polarizability	38.84
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00