1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine

C16H15Cl2FN2O4S2 — CID 55352199

IUPAC1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H15Cl2FN2O4S2/c17-15-5-4-14(11-16(15)18)27(24,25)21-8-6-20(7-9-21)26(22,23)13-3-1-2-12(19)10-13/h1-5,10-11H,6-9H2
InChIKeyIPCWMVSLGLMYHC-UHFFFAOYSA-N
MW453.34 g/mol
LogP2.83
Rot. Bonds4

About 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine

1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine (PubChem CID 55352199) has the molecular formula C16H15Cl2FN2O4S2 and a molecular weight of 453.34 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
PubChem CID55352199
Molecular FormulaC16H15Cl2FN2O4S2
Molecular Weight453.34 g/mol
Exact Mass451.98
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H15Cl2FN2O4S2/c17-15-5-4-14(11-16(15)18)27(24,25)21-8-6-20(7-9-21)26(22,23)13-3-1-2-12(19)10-13/h1-5,10-11H,6-9H2
InChIKeyIPCWMVSLGLMYHC-UHFFFAOYSA-N
XLogP2.83
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 52897126
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351787
1-[4-(4-chlorophenyl)-2-pyridinyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 171059988
1-[(6-chloro-3-pyridinyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 31035968
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine
CID 26451257
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 39636324
2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 22831097
N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27868228

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine (CID 55352199) is 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
The InChIKey is IPCWMVSLGLMYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O4S2/c17-15-5-4-14(11-16(15)18)27(24,25)21-8-6-20(7-9-21)26(22,23)13-3-1-2-12(19)10-13/h1-5,10-11H,6-9H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine has a molecular weight of 453.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 55352199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).