3-(2-ethylbenzenesulfonyl)-4,6-dimethyl-2-(2-methylpropoxy)pyridine

3-(2-ethylbenzenesulfonyl)-4,6-dimethyl-2-(2-methylpropoxy)pyridine

CAS: 338774-02-0

Formula: C19H25NO3S

SMILES: CCC1=C(C=CC=C1)S(=O)(=O)C1=C(OCC(C)C)N=C(C)C=C1C

IUPAC: 3-(2-ethylbenzenesulfonyl)-4,6-dimethyl-2-(2-methylpropoxy)pyridine

InChI: InChI=1S/C19H25NO3S/c1-6-16-9-7-8-10-17(16)24(21,22)18-14(4)11-15(5)20-19(18)23-12-13(2)3/h7-11,13H,6,12H2,1-5H3

Composition: C (65.68%), H (7.25%), N (4.03%), O (13.81%), S (9.23%)

Molar Mass: 347.47

Atom Count: 49

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	347.155514843
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OTZAMUTUDBRSPN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.23
Topological Polar Surface Area	56.26
Polarizability	38.67
Ring Count	2
Rotatable Bond Count	6

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