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2-chloro-N-[4-(3,5-dimethylpiperidin-1-ylsulfonyl)phenyl]acetamide

2-chloro-N-[4-(3,5-dimethylpiperidin-1-ylsulfonyl)phenyl]acetamide

CAS: 908509-71-7

Formula: C15H21ClN2O3S

SMILES: CC1CC(C)CN(C1)S(=O)(=O)C1=CC=C(NC(=O)CCl)C=C1

IUPAC: 2-chloro-N-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide

InChI: InChI=1/C15H21ClN2O3S/c1-11-7-12(2)10-18(9-11)22(20,21)14-5-3-13(4-6-14)17-15(19)8-16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)

Composition: C (52.24%), H (6.14%), Cl (10.28%), N (8.12%), O (13.92%), S (9.30%)

Molar Mass: 344.85

Atom Count: 43

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 344.0961414
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DKSMJHNBYPZHJS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.71
Topological Polar Surface Area 66.48
Polarizability 34.52
Ring Count 2
Rotatable Bond Count 3

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