1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine

C16H15ClF2N2O2S — CID 3846260

IUPAC1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H15ClF2N2O2S/c17-12-3-1-4-13(11-12)20-7-9-21(10-8-20)24(22,23)16-14(18)5-2-6-15(16)19/h1-6,11H,7-10H2
InChIKeyVQNPJHRTAREKCM-UHFFFAOYSA-N
MW372.82 g/mol
LogP3.13
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine

1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine (PubChem CID 3846260) has the molecular formula C16H15ClF2N2O2S and a molecular weight of 372.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
PubChem CID3846260
Molecular FormulaC16H15ClF2N2O2S
Molecular Weight372.82 g/mol
Exact Mass372.05
IUPAC Name1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H15ClF2N2O2S/c17-12-3-1-4-13(11-12)20-7-9-21(10-8-20)24(22,23)16-14(18)5-2-6-15(16)19/h1-6,11H,7-10H2
InChIKeyVQNPJHRTAREKCM-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280565
1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1260990
1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
CID 1210841

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine (CID 3846260) is 1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine is O=S(=O)(c1c(F)cccc1F)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine?
The InChIKey is VQNPJHRTAREKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2S/c17-12-3-1-4-13(11-12)20-7-9-21(10-8-20)24(22,23)16-14(18)5-2-6-15(16)19/h1-6,11H,7-10H2.
What are the key properties of 1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine?
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine has a molecular weight of 372.82 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 3846260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).