1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine

C16H14Cl2F2N2O4S2 — CID 26947080

IUPAC1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H14Cl2F2N2O4S2/c17-12-2-1-3-13(18)16(12)28(25,26)22-8-6-21(7-9-22)27(23,24)15-5-4-11(19)10-14(15)20/h1-5,10H,6-9H2
InChIKeyXHKFPFNFQNYLTR-UHFFFAOYSA-N
MW471.33 g/mol
LogP2.97
Rot. Bonds4

About 1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine

1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine (PubChem CID 26947080) has the molecular formula C16H14Cl2F2N2O4S2 and a molecular weight of 471.33 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
PubChem CID26947080
Molecular FormulaC16H14Cl2F2N2O4S2
Molecular Weight471.33 g/mol
Exact Mass469.97
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H14Cl2F2N2O4S2/c17-12-2-1-3-13(18)16(12)28(25,26)22-8-6-21(7-9-22)27(23,24)15-5-4-11(19)10-14(15)20/h1-5,10H,6-9H2
InChIKeyXHKFPFNFQNYLTR-UHFFFAOYSA-N
XLogP2.97
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 134017145
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927
1-[1-(2,6-difluorophenyl)ethyl]-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 112840410
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 26312773
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
2-(2-chlorophenoxy)-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55575046

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine (CID 26947080) is 1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
The InChIKey is XHKFPFNFQNYLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F2N2O4S2/c17-12-2-1-3-13(18)16(12)28(25,26)22-8-6-21(7-9-22)27(23,24)15-5-4-11(19)10-14(15)20/h1-5,10H,6-9H2.
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine has a molecular weight of 471.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 26947080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).