2,2-dichloro-N-[3-fluoro-1-hydroxy-1-(4-methanesulfonylphenyl)propan-2-yl]acetamide

2,2-dichloro-N-[3-fluoro-1-hydroxy-1-(4-methanesulfonylphenyl)propan-2-yl]acetamide

CAS: 73231-34-2

Formula: C12H14Cl2FNO4S

SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(O)C(CF)NC(=O)C(Cl)Cl

IUPAC: 2,2-dichloro-N-[3-fluoro-1-hydroxy-1-(4-methanesulfonylphenyl)propan-2-yl]acetamide

InChI: InChI=1/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)

Composition: C (40.24%), H (3.94%), Cl (19.79%), F (5.30%), N (3.91%), O (17.87%), S (8.95%)

Molar Mass: 358.21

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	357.0004627
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AYIRNRDRBQJXIF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.19
Topological Polar Surface Area	83.47
Polarizability	31.01
Ring Count	1
Rotatable Bond Count	6

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