2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine

C15H16ClN3O2S — CID 120765325

IUPAC2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccnc1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H16ClN3O2S/c16-14-6-2-1-5-13(14)15-11-18-8-9-19(15)22(20,21)12-4-3-7-17-10-12/h1-7,10,15,18H,8-9,11H2
InChIKeyVTFSNLWOSSPERV-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.07
Rot. Bonds3

About 2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine

2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine (PubChem CID 120765325) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
PubChem CID120765325
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccnc1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H16ClN3O2S/c16-14-6-2-1-5-13(14)15-11-18-8-9-19(15)22(20,21)12-4-3-7-17-10-12/h1-7,10,15,18H,8-9,11H2
InChIKeyVTFSNLWOSSPERV-UHFFFAOYSA-N
XLogP2.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765172
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280
5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120765306
1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120765302
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120765068
methyl 2-[4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyrazol-1-yl]acetate
CID 120765125
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine?
The IUPAC name of 2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine (CID 120765325) is 2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine?
The canonical SMILES for 2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine is O=S(=O)(c1cccnc1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine?
The InChIKey is VTFSNLWOSSPERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-14-6-2-1-5-13(14)15-11-18-8-9-19(15)22(20,21)12-4-3-7-17-10-12/h1-7,10,15,18H,8-9,11H2.
What are the key properties of 2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine?
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine has a molecular weight of 337.83 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine is sourced from PubChem (CID 120765325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).