1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine

C13H17ClF3N3O2S — CID 55353279

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C13H17ClF3N3O2S/c1-2-7-23(21,22)20-5-3-19(4-6-20)12-11(14)8-10(9-18-12)13(15,16)17/h8-9H,2-7H2,1H3
InChIKeyAFJLERDFPYHXPD-UHFFFAOYSA-N
MW371.81 g/mol
LogP2.62
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine (PubChem CID 55353279) has the molecular formula C13H17ClF3N3O2S and a molecular weight of 371.81 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine
PubChem CID55353279
Molecular FormulaC13H17ClF3N3O2S
Molecular Weight371.81 g/mol
Exact Mass371.07
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C13H17ClF3N3O2S/c1-2-7-23(21,22)20-5-3-19(4-6-20)12-11(14)8-10(9-18-12)13(15,16)17/h8-9H,2-7H2,1H3
InChIKeyAFJLERDFPYHXPD-UHFFFAOYSA-N
XLogP2.62
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.81
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
CID 55627120
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]sulfonylpiperazine
CID 5102340
methyl 2-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-4,5-dimethoxyphenyl]acetate
CID 5073613
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163344238
5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 60502978
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanenitrile
CID 1478430
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 8908325
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430660
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile
CID 60641606

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine (CID 55353279) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine?
The InChIKey is AFJLERDFPYHXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O2S/c1-2-7-23(21,22)20-5-3-19(4-6-20)12-11(14)8-10(9-18-12)13(15,16)17/h8-9H,2-7H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine has a molecular weight of 371.81 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-propylsulfonylpiperazine is sourced from PubChem (CID 55353279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).