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

C11H13ClF3N3O2S — CID 2741617

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H13ClF3N3O2S/c1-21(19,20)18-4-2-17(3-5-18)10-9(12)6-8(7-16-10)11(13,14)15/h6-7H,2-5H2,1H3
InChIKeyFDIUJUNSSCXUBH-UHFFFAOYSA-N
MW343.76 g/mol
LogP1.84
Rot. Bonds2

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine (PubChem CID 2741617) has the molecular formula C11H13ClF3N3O2S and a molecular weight of 343.76 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine
PubChem CID2741617
Molecular FormulaC11H13ClF3N3O2S
Molecular Weight343.76 g/mol
Exact Mass343.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H13ClF3N3O2S/c1-21(19,20)18-4-2-17(3-5-18)10-9(12)6-8(7-16-10)11(13,14)15/h6-7H,2-5H2,1H3
InChIKeyFDIUJUNSSCXUBH-UHFFFAOYSA-N
XLogP1.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Arylsulfonylpiperazine, 20
CID 44237024
1-[(4-Chlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 1484981
N-benzyl-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2800731
4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thiomorpholine
CID 2821299
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine
CID 667619
2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-one
CID 735808
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide
CID 1476490
1-(6-Chloro-2-pyridinyl)-4-(methylsulfonyl)piperazine
CID 3477914
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 3755918
N-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl)urea
CID 3822186
N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)methanesulfonamide
CID 3847361
Ethyl 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 4024930

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine (CID 2741617) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine?
The InChIKey is FDIUJUNSSCXUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O2S/c1-21(19,20)18-4-2-17(3-5-18)10-9(12)6-8(7-16-10)11(13,14)15/h6-7H,2-5H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonylpiperazine has a molecular weight of 343.76 g/mol, XLogP of 1.84, 2 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-methylsulfonylpiperazine is sourced from PubChem (CID 2741617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).