2-{N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamido}-N-ethylacetamide

2-{N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamido}-N-ethylacetamide

Formula: C18H20ClFN2O3S

SMILES: CCNC(=O)CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: 2-{N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamido}-N-ethylacetamide

InChI: InChI=1S/C18H20ClFN2O3S/c1-3-21-18(23)12-22(11-15-16(19)5-4-6-17(15)20)26(24,25)14-9-7-13(2)8-10-14/h4-10H,3,11-12H2,1-2H3,(H,21,23)

Composition: C (54.20%), H (5.05%), Cl (8.89%), F (4.76%), N (7.02%), O (12.03%), S (8.04%)

Molar Mass: 398.88

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	398.0867195
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KSGRIWQVOUXUPF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.24
Topological Polar Surface Area	66.48
Polarizability	38.99
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20ClFN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00