1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C16H15ClF3N3O2S — CID 1484981

IUPAC1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H15ClF3N3O2S/c17-12-3-5-13(6-4-12)26(24,25)23-10-8-22(9-11-23)15-14(16(18,19)20)2-1-7-21-15/h1-7H,8-11H2
InChIKeyGGTXCUVLRKFBHT-UHFFFAOYSA-N
MW405.83 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 1484981) has the molecular formula C16H15ClF3N3O2S and a molecular weight of 405.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID1484981
Molecular FormulaC16H15ClF3N3O2S
Molecular Weight405.83 g/mol
Exact Mass405.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H15ClF3N3O2S/c17-12-3-5-13(6-4-12)26(24,25)23-10-8-22(9-11-23)15-14(16(18,19)20)2-1-7-21-15/h1-7H,8-11H2
InChIKeyGGTXCUVLRKFBHT-UHFFFAOYSA-N
XLogP3.26
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 1484981) is 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is GGTXCUVLRKFBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2S/c17-12-3-5-13(6-4-12)26(24,25)23-10-8-22(9-11-23)15-14(16(18,19)20)2-1-7-21-15/h1-7H,8-11H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 405.83 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 1484981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).