3-(azepane-1-sulfonyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]benzamide

3-(azepane-1-sulfonyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]benzamide

Formula: C21H23F3N2O3S

SMILES: CC1=CC=C(C=C1S(=O)(=O)N1CCCCCC1)C(=O)NC1=CC=CC=C1C(F)(F)F

IUPAC: 3-(azepane-1-sulfonyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]benzamide

InChI: InChI=1S/C21H23F3N2O3S/c1-15-10-11-16(14-19(15)30(28,29)26-12-6-2-3-7-13-26)20(27)25-18-9-5-4-8-17(18)21(22,23)24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,25,27)

Composition: C (57.26%), H (5.26%), F (12.94%), N (6.36%), O (10.90%), S (7.28%)

Molar Mass: 440.48

Atom Count: 53

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	440.138148272
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CDFGKRKXPHUAMP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.3
Topological Polar Surface Area	66.48
Polarizability	41.39
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H23F3N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00