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2-chloro-N-[4-(3-methylpiperidin-1-ylsulfonyl)phenyl]acetamide

2-chloro-N-[4-(3-methylpiperidin-1-ylsulfonyl)phenyl]acetamide

CAS: 2173125-21-6

Formula: C14H19ClN2O3S

SMILES: CC1CCCN(C1)S(=O)(=O)C1=CC=C(NC(=O)CCl)C=C1

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

InChI: InChI=1/C14H19ClN2O3S/c1-11-3-2-8-17(10-11)21(19,20)13-6-4-12(5-7-13)16-14(18)9-15/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)

Composition: C (50.83%), H (5.79%), Cl (10.72%), N (8.47%), O (14.51%), S (9.69%)

Molar Mass: 330.83

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 330.0804914
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IWKQTZAPDUXFKE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.24
Topological Polar Surface Area 66.48
Polarizability 32.69
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2173125-21-6 $51.35-$331.03$51.35$63.37$86.31$331.03
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