1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid

C17H23FN2O6S — CID 2913199

IUPAC1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid
SMILESO=C(O)C(=O)O.O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C15H21FN2O2S.C2H2O4/c16-13-3-5-15(6-4-13)21(19,20)18-11-7-14(8-12-18)17-9-1-2-10-17;3-1(4)2(5)6/h3-6,14H,1-2,7-12H2;(H,3,4)(H,5,6)
InChIKeyDHVLZKKGYJWDDP-UHFFFAOYSA-N
MW402.44 g/mol
LogP1.23
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid

1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid (PubChem CID 2913199) has the molecular formula C17H23FN2O6S and a molecular weight of 402.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid
PubChem CID2913199
Molecular FormulaC17H23FN2O6S
Molecular Weight402.44 g/mol
Exact Mass402.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid
SMILESO=C(O)C(=O)O.O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C15H21FN2O2S.C2H2O4/c16-13-3-5-15(6-4-13)21(19,20)18-11-7-14(8-12-18)17-9-1-2-10-17;3-1(4)2(5)6/h3-6,14H,1-2,7-12H2;(H,3,4)(H,5,6)
InChIKeyDHVLZKKGYJWDDP-UHFFFAOYSA-N
XLogP1.23
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Benzenesulfonyl-4-isopropyl-piperazine
CID 2879921
1-{1-[(4-Fluorophenyl)sulfonyl]-4-piperidinyl}azepane oxalate
CID 2911963
4-{1-[(4-Fluorophenyl)sulfonyl]-4-piperidinyl}-2,6-dimethylmorpholine oxalate
CID 2911606
1'-[(4-Fluorophenyl)sulfonyl]-4-methyl-1,4'-bipiperidine oxalate
CID 2912389
1-[(4-Fluorophenyl)sulfonyl]-4-(1-pyrrolidinyl)piperidine
CID 1121424
1-[1-(Benzenesulfonyl)piperidin-4-yl]-4-methylpiperazine;oxalic acid
CID 2911542
1-(Benzenesulfonyl)-4-cycloheptylpiperazine;oxalic acid
CID 17366240
1-Cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid
CID 44828285
1-(4-Fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
CID 90483247
1-Cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid
CID 2902825
1-(3-Fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 3801083
1-(2-Fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid (CID 2913199) is 1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid is O=C(O)C(=O)O.O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid?
The InChIKey is DHVLZKKGYJWDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S.C2H2O4/c16-13-3-5-15(6-4-13)21(19,20)18-11-7-14(8-12-18)17-9-1-2-10-17;3-1(4)2(5)6/h3-6,14H,1-2,7-12H2;(H,3,4)(H,5,6).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid?
1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid has a molecular weight of 402.44 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine;oxalic acid is sourced from PubChem (CID 2913199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).