2-[(2Z)-azepan-2-ylidene]-2-(2-fluoro-5-methylbenzenesulfonyl)acetonitrile

2-[(2Z)-azepan-2-ylidene]-2-(2-fluoro-5-methylbenzenesulfonyl)acetonitrile

Formula: C15H17FN2O2S

SMILES: CC1=CC=C(F)C(=C1)S(=O)(=O)C(C#N)=C1CCCCCN1

IUPAC: 2-[(2Z)-azepan-2-ylidene]-2-(2-fluoro-5-methylbenzenesulfonyl)acetonitrile

InChI: InChI=1S/C15H17FN2O2S/c1-11-6-7-12(16)14(9-11)21(19,20)15(10-17)13-5-3-2-4-8-18-13/h6-7,9,18H,2-5,8H2,1H3/b15-13-

Composition: C (58.42%), H (5.56%), F (6.16%), N (9.08%), O (10.38%), S (10.40%)

Molar Mass: 308.37

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	308.099477132
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AELOJHUSAIPRGT-SQFISAMPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.27
Topological Polar Surface Area	69.96
Polarizability	30.68
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H17FN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00