1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine

C16H14Cl2F2N2O2S — CID 3816055

IUPAC1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H14Cl2F2N2O2S/c17-11-7-12(18)9-14(8-11)25(23,24)22-5-3-21(4-6-22)16-2-1-13(19)10-15(16)20/h1-2,7-10H,3-6H2
InChIKeyAHWMHDIDEILDLS-UHFFFAOYSA-N
MW407.27 g/mol
LogP3.78
Rot. Bonds3

About 1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine

1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine (PubChem CID 3816055) has the molecular formula C16H14Cl2F2N2O2S and a molecular weight of 407.27 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine
PubChem CID3816055
Molecular FormulaC16H14Cl2F2N2O2S
Molecular Weight407.27 g/mol
Exact Mass406.01
IUPAC Name1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H14Cl2F2N2O2S/c17-11-7-12(18)9-14(8-11)25(23,24)22-5-3-21(4-6-22)16-2-1-13(19)10-15(16)20/h1-2,7-10H,3-6H2
InChIKeyAHWMHDIDEILDLS-UHFFFAOYSA-N
XLogP3.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3807892
1-(3,5-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 26544769
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine
CID 113079918
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(2-fluoro-4-nitrophenyl)piperazine
CID 3482251
1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113079942
1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113079952
1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine
CID 26451257
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 86959908
1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451832
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine
CID 163356497

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine (CID 3816055) is 1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine?
The InChIKey is AHWMHDIDEILDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F2N2O2S/c17-11-7-12(18)9-14(8-11)25(23,24)22-5-3-21(4-6-22)16-2-1-13(19)10-15(16)20/h1-2,7-10H,3-6H2.
What are the key properties of 1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine?
1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine has a molecular weight of 407.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine is sourced from PubChem (CID 3816055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).