N-benzyl-5-[4-(2-methyl-1,3-benzothiazol-6-ylsulfonyl)piperazin-1-yl]-2-nitroaniline

N-benzyl-5-[4-(2-methyl-1,3-benzothiazol-6-ylsulfonyl)piperazin-1-yl]-2-nitroaniline

Formula: C25H25N5O4S2

SMILES: CC1=NC2=CC=C(C=C2S1)S(=O)(=O)N1CCN(CC1)C1=CC=C(C(NCC2=CC=CC=C2)=C1)[N+]([O-])=O

IUPAC: N-benzyl-5-{4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl}-2-nitroaniline

InChI: InChI=1S/C25H25N5O4S2/c1-18-27-22-9-8-21(16-25(22)35-18)36(33,34)29-13-11-28(12-14-29)20-7-10-24(30(31)32)23(15-20)26-17-19-5-3-2-4-6-19/h2-10,15-16,26H,11-14,17H2,1H3

Composition: C (57.35%), H (4.81%), N (13.38%), O (12.22%), S (12.25%)

Molar Mass: 523.63

Atom Count: 61

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	523.134796653
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	WMTUGFYGKWWEAB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	141.2
Topological Polar Surface Area	108.68
Polarizability	54.48
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25N5O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00