2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine

C15H22ClN3O2S — CID 120765131

IUPAC2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
SMILESO=S(=O)(N1CCCCC1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H22ClN3O2S/c16-14-7-3-2-6-13(14)15-12-17-8-11-19(15)22(20,21)18-9-4-1-5-10-18/h2-3,6-7,15,17H,1,4-5,8-12H2
InChIKeyKJFSVBJUNXLKDH-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.02
Rot. Bonds3

About 2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine

2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine (PubChem CID 120765131) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
PubChem CID120765131
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
SMILESO=S(=O)(N1CCCCC1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H22ClN3O2S/c16-14-7-3-2-6-13(14)15-12-17-8-11-19(15)22(20,21)18-9-4-1-5-10-18/h2-3,6-7,15,17H,1,4-5,8-12H2
InChIKeyKJFSVBJUNXLKDH-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine?
The IUPAC name of 2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine (CID 120765131) is 2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine?
The canonical SMILES for 2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine is O=S(=O)(N1CCCCC1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine?
The InChIKey is KJFSVBJUNXLKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2S/c16-14-7-3-2-6-13(14)15-12-17-8-11-19(15)22(20,21)18-9-4-1-5-10-18/h2-3,6-7,15,17H,1,4-5,8-12H2.
What are the key properties of 2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine?
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine has a molecular weight of 343.88 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 120765131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).