1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine

C15H16ClN3O2S — CID 785520

IUPAC1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H16ClN3O2S/c16-13-4-6-14(7-5-13)22(20,21)19-11-9-18(10-12-19)15-3-1-2-8-17-15/h1-8H,9-12H2
InChIKeyOJAKKSSXVSWKKR-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.25
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine

1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 785520) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID785520
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H16ClN3O2S/c16-13-4-6-14(7-5-13)22(20,21)19-11-9-18(10-12-19)15-3-1-2-8-17-15/h1-8H,9-12H2
InChIKeyOJAKKSSXVSWKKR-UHFFFAOYSA-N
XLogP2.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 785520) is 1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is OJAKKSSXVSWKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-13-4-6-14(7-5-13)22(20,21)19-11-9-18(10-12-19)15-3-1-2-8-17-15/h1-8H,9-12H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 337.83 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 785520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).