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1-[(2-chlorophenyl)methyl]-4-(propane-1-sulfonyl)piperazine

1-[(2-chlorophenyl)methyl]-4-(propane-1-sulfonyl)piperazine

Formula: C14H21ClN2O2S

SMILES: CCCS(=O)(=O)N1CCN(CC2=CC=CC=C2Cl)CC1

IUPAC: 1-[(2-chlorophenyl)methyl]-4-(propane-1-sulfonyl)piperazine

InChI: InChI=1S/C14H21ClN2O2S/c1-2-11-20(18,19)17-9-7-16(8-10-17)12-13-5-3-4-6-14(13)15/h3-6H,2,7-12H2,1H3

Composition: C (53.07%), H (6.68%), Cl (11.19%), N (8.84%), O (10.10%), S (10.12%)

Molar Mass: 316.84

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 316.1012268
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XMQXIYURNIKHAO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.72
Topological Polar Surface Area 40.62
Polarizability 33.05
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H21ClN2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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