3-(azepane-1-sulfonyl)-4-chloro-N-(3-ethoxypropyl)benzamide

3-(azepane-1-sulfonyl)-4-chloro-N-(3-ethoxypropyl)benzamide

Formula: C18H27ClN2O4S

SMILES: CCOCCCNC(=O)C1=CC=C(Cl)C(=C1)S(=O)(=O)N1CCCCCC1

IUPAC: 3-(azepane-1-sulfonyl)-4-chloro-N-(3-ethoxypropyl)benzamide

InChI: InChI=1S/C18H27ClN2O4S/c1-2-25-13-7-10-20-18(22)15-8-9-16(19)17(14-15)26(23,24)21-11-5-3-4-6-12-21/h8-9,14H,2-7,10-13H2,1H3,(H,20,22)

Composition: C (53.66%), H (6.75%), Cl (8.80%), N (6.95%), O (15.88%), S (7.96%)

Molar Mass: 402.93

Atom Count: 53

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	402.1380062
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZRBBUXJUBWRUBI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.19
Topological Polar Surface Area	75.71
Polarizability	40.62
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H27ClN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00