N-(2,1,3-benzothiadiazol-4-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide

N-(2,1,3-benzothiadiazol-4-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide

Formula: C17H15N5O3S

SMILES: [O-][N+](=O)C1=CC(=CC=C1N1CCCC1)C(=O)NC1=CC=CC2=NSN=C12

IUPAC: N-(2,1,3-benzothiadiazol-4-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide

InChI: InChI=1S/C17H15N5O3S/c23-17(18-12-4-3-5-13-16(12)20-26-19-13)11-6-7-14(15(10-11)22(24)25)21-8-1-2-9-21/h3-7,10H,1-2,8-9H2,(H,18,23)

Composition: C (55.28%), H (4.09%), N (18.96%), O (12.99%), S (8.68%)

Molar Mass: 369.4

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	369.089560537
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	IILYGEQSLZORRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.36
Topological Polar Surface Area	101.26
Polarizability	37.08
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15N5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00