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methyl N-[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]carbamate

methyl N-[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]carbamate

CAS: 478047-66-4

Formula: C13H17ClN2O4S

SMILES: COC(=O)NC1CCN(CC1)S(=O)(=O)C1=CC=C(Cl)C=C1

IUPAC: methyl N-[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]carbamate

InChI: InChI=1S/C13H17ClN2O4S/c1-20-13(17)15-11-6-8-16(9-7-11)21(18,19)12-4-2-10(14)3-5-12/h2-5,11H,6-9H2,1H3,(H,15,17)

Composition: C (46.92%), H (5.15%), Cl (10.65%), N (8.42%), O (19.23%), S (9.63%)

Molar Mass: 332.8

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 332.0597559
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DGASNUFWJMNATG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.26
Topological Polar Surface Area 75.71
Polarizability 31.66
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 478047-66-4 $51.35-$524.40$51.35$63.37$86.31$524.40
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