6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid

C16H16FN3O4S — CID 122047573

IUPAC6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H16FN3O4S/c17-12-4-6-13(7-5-12)25(23,24)20-10-8-19(9-11-20)15-3-1-2-14(18-15)16(21)22/h1-7H,8-11H2,(H,21,22)
InChIKeyZLZSONDZPBFPBT-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.43
Rot. Bonds4

About 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid

6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122047573) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122047573
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC Name6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H16FN3O4S/c17-12-4-6-13(7-5-12)25(23,24)20-10-8-19(9-11-20)15-3-1-2-14(18-15)16(21)22/h1-7H,8-11H2,(H,21,22)
InChIKeyZLZSONDZPBFPBT-UHFFFAOYSA-N
XLogP1.43
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 4585375
6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053018
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122054419
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 42474236
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3264362
8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 113079783
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid
CID 113083273
4-chloro-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 16937776

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid (CID 122047573) is 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is ZLZSONDZPBFPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c17-12-4-6-13(7-5-12)25(23,24)20-10-8-19(9-11-20)15-3-1-2-14(18-15)16(21)22/h1-7H,8-11H2,(H,21,22).
What are the key properties of 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).