1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine

C21H19ClFN3O2S — CID 171059988

IUPAC1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(c2cc(-c3ccc(Cl)cc3)ccn2)CC1
InChIInChI=1S/C21H19ClFN3O2S/c22-18-6-4-16(5-7-18)17-8-9-24-21(14-17)25-10-12-26(13-11-25)29(27,28)20-3-1-2-19(23)15-20/h1-9,14-15H,10-13H2
InChIKeyOKDNTKJBDZOCQA-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.05
Rot. Bonds4

About 1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine

1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine (PubChem CID 171059988) has the molecular formula C21H19ClFN3O2S and a molecular weight of 431.92 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine
PubChem CID171059988
Molecular FormulaC21H19ClFN3O2S
Molecular Weight431.92 g/mol
Exact Mass431.09
IUPAC Name1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(c2cc(-c3ccc(Cl)cc3)ccn2)CC1
InChIInChI=1S/C21H19ClFN3O2S/c22-18-6-4-16(5-7-18)17-8-9-24-21(14-17)25-10-12-26(13-11-25)29(27,28)20-3-1-2-19(23)15-20/h1-9,14-15H,10-13H2
InChIKeyOKDNTKJBDZOCQA-UHFFFAOYSA-N
XLogP4.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
7-(3,4-dichlorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46092965
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349016
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 50946302
4-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 56696039
formic acid;1-(3-phenylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 172910349
N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27868228
7-(4-chlorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 171336538
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
4-(4-fluorophenyl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107461

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine (CID 171059988) is 1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1cccc(F)c1)N1CCN(c2cc(-c3ccc(Cl)cc3)ccn2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine?
The InChIKey is OKDNTKJBDZOCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2S/c22-18-6-4-16(5-7-18)17-8-9-24-21(14-17)25-10-12-26(13-11-25)29(27,28)20-3-1-2-19(23)15-20/h1-9,14-15H,10-13H2.
What are the key properties of 1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine?
1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine has a molecular weight of 431.92 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 171059988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).