1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid

C18H25FN2O6S — CID 44828285

IUPAC1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H23FN2O2S.C2H2O4/c17-14-6-8-16(9-7-14)22(20,21)19-12-10-18(11-13-19)15-4-2-1-3-5-15;3-1(4)2(5)6/h6-9,15H,1-5,10-13H2;(H,3,4)(H,5,6)
InChIKeyHSLJFJNYBLRGGI-UHFFFAOYSA-N
MW416.47 g/mol
LogP1.62
Rot. Bonds3

About 1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid

1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid (PubChem CID 44828285) has the molecular formula C18H25FN2O6S and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid
PubChem CID44828285
Molecular FormulaC18H25FN2O6S
Molecular Weight416.47 g/mol
Exact Mass416.14
IUPAC Name1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H23FN2O2S.C2H2O4/c17-14-6-8-16(9-7-14)22(20,21)19-12-10-18(11-13-19)15-4-2-1-3-5-15;3-1(4)2(5)6/h6-9,15H,1-5,10-13H2;(H,3,4)(H,5,6)
InChIKeyHSLJFJNYBLRGGI-UHFFFAOYSA-N
XLogP1.62
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid?
The IUPAC name of 1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid (CID 44828285) is 1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid.
What is the SMILES notation for 1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid?
The canonical SMILES for 1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid is O=C(O)C(=O)O.O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid?
The InChIKey is HSLJFJNYBLRGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2S.C2H2O4/c17-14-6-8-16(9-7-14)22(20,21)19-12-10-18(11-13-19)15-4-2-1-3-5-15;3-1(4)2(5)6/h6-9,15H,1-5,10-13H2;(H,3,4)(H,5,6).
What are the key properties of 1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid?
1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid has a molecular weight of 416.47 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid is sourced from PubChem (CID 44828285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).