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

C16H14Cl2F3N3O2S — CID 6735011

IUPAC1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H14Cl2F3N3O2S/c17-12-4-1-5-13(14(12)18)27(25,26)24-9-7-23(8-10-24)15-11(16(19,20)21)3-2-6-22-15/h1-6H,7-10H2
InChIKeyTVIGZCSGDGGNAM-UHFFFAOYSA-N
MW440.27 g/mol
LogP3.92
Rot. Bonds3

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

1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 6735011) has the molecular formula C16H14Cl2F3N3O2S and a molecular weight of 440.27 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID6735011
Molecular FormulaC16H14Cl2F3N3O2S
Molecular Weight440.27 g/mol
Exact Mass439.01
IUPAC Name1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H14Cl2F3N3O2S/c17-12-4-1-5-13(14(12)18)27(25,26)24-9-7-23(8-10-24)15-11(16(19,20)21)3-2-6-22-15/h1-6H,7-10H2
InChIKeyTVIGZCSGDGGNAM-UHFFFAOYSA-N
XLogP3.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
Arylsulfonylpiperazine, 20
CID 44237024
Arylsulfonylpiperazine, 25
CID 44237028
4-Chloro-1-((4-(2-pyridyl)piperazinyl)sulfonyl)benzene
CID 785520
1-[(4-Chlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 1484981
Arylsulfonylpiperazine, 7
CID 44237015
Arylsulfonylpiperazine, 8
CID 44237016
Arylsulfonylpiperazine, 11
CID 44237018
Arylsulfonylpiperazine, 13
CID 44237019
Arylsulfonylpiperazine, 21
CID 44237025
Arylsulfonylpiperazine, 22
CID 44237026

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 6735011) is 1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is TVIGZCSGDGGNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F3N3O2S/c17-12-4-1-5-13(14(12)18)27(25,26)24-9-7-23(8-10-24)15-11(16(19,20)21)3-2-6-22-15/h1-6H,7-10H2.
What are the key properties of 1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 440.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 6735011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).