3-(azepane-1-sulfonyl)-4-chloro-N-(pyridin-4-ylmethyl)benzamide

3-(azepane-1-sulfonyl)-4-chloro-N-(pyridin-4-ylmethyl)benzamide

Formula: C19H22ClN3O3S

SMILES: ClC1=CC=C(C=C1S(=O)(=O)N1CCCCCC1)C(=O)NCC1=CC=NC=C1

IUPAC: 3-(azepane-1-sulfonyl)-4-chloro-N-[(pyridin-4-yl)methyl]benzamide

InChI: InChI=1S/C19H22ClN3O3S/c20-17-6-5-16(19(24)22-14-15-7-9-21-10-8-15)13-18(17)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2,(H,22,24)

Composition: C (55.95%), H (5.44%), Cl (8.69%), N (10.30%), O (11.77%), S (7.86%)

Molar Mass: 407.91

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	407.1070405
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VCQHZPSZERSTCK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.99
Topological Polar Surface Area	79.37
Polarizability	41.23
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H22ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00