1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine

C13H19FN2O4S2 — CID 1151433

IUPAC1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2O4S2/c1-2-11-21(17,18)15-7-9-16(10-8-15)22(19,20)13-5-3-12(14)4-6-13/h3-6H,2,7-11H2,1H3
InChIKeyNSSICMAXJOOYEW-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.87
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine

1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine (PubChem CID 1151433) has the molecular formula C13H19FN2O4S2 and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine
PubChem CID1151433
Molecular FormulaC13H19FN2O4S2
Molecular Weight350.44 g/mol
Exact Mass350.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2O4S2/c1-2-11-21(17,18)15-7-9-16(10-8-15)22(19,20)13-5-3-12(14)4-6-13/h3-6H,2,7-11H2,1H3
InChIKeyNSSICMAXJOOYEW-UHFFFAOYSA-N
XLogP0.87
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine (CID 1151433) is 1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine?
The InChIKey is NSSICMAXJOOYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S2/c1-2-11-21(17,18)15-7-9-16(10-8-15)22(19,20)13-5-3-12(14)4-6-13/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine?
1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine has a molecular weight of 350.44 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-propylsulfonylpiperazine is sourced from PubChem (CID 1151433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).