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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).