1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid

C13H17FN2O4S — CID 60858075

IUPAC1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C13H17FN2O4S/c14-12-4-2-1-3-11(12)9-15-21(19,20)16-7-5-10(6-8-16)13(17)18/h1-4,10,15H,5-9H2,(H,17,18)
InChIKeyZVGVGNUHVMWDJD-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.96
Rot. Bonds5

About 1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid

1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60858075) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
PubChem CID60858075
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C13H17FN2O4S/c14-12-4-2-1-3-11(12)9-15-21(19,20)16-7-5-10(6-8-16)13(17)18/h1-4,10,15H,5-9H2,(H,17,18)
InChIKeyZVGVGNUHVMWDJD-UHFFFAOYSA-N
XLogP0.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 106415171
1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61075380
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194
1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 61283284
1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 154802558
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 46294839
1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79090563
1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60913226
1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid
CID 63934028
1-(4-cyanophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 9087861

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid (CID 60858075) is 1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)NCc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is ZVGVGNUHVMWDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c14-12-4-2-1-3-11(12)9-15-21(19,20)16-7-5-10(6-8-16)13(17)18/h1-4,10,15H,5-9H2,(H,17,18).
What are the key properties of 1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid?
1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 316.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60858075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).