1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine

C15H15Cl2N3O2S — CID 4595179

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H15Cl2N3O2S/c16-12-4-5-13(17)14(11-12)23(21,22)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2
InChIKeyJZFDTWNAKIKJNF-UHFFFAOYSA-N
MW372.28 g/mol
LogP2.90
Rot. Bonds3

About 1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine

1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 4595179) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID4595179
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H15Cl2N3O2S/c16-12-4-5-13(17)14(11-12)23(21,22)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2
InChIKeyJZFDTWNAKIKJNF-UHFFFAOYSA-N
XLogP2.90
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 4595179) is 1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is JZFDTWNAKIKJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c16-12-4-5-13(17)14(11-12)23(21,22)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 372.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 4595179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).