1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid

C12H14Cl2N2O4S — CID 60857772

IUPAC1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O4S/c13-9-4-1-5-10(14)11(9)15-21(19,20)16-6-2-3-8(7-16)12(17)18/h1,4-5,8,15H,2-3,6-7H2,(H,17,18)
InChIKeyHBFYIHKLRCCQCA-UHFFFAOYSA-N
MW353.23 g/mol
LogP2.45
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid

1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60857772) has the molecular formula C12H14Cl2N2O4S and a molecular weight of 353.23 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60857772
Molecular FormulaC12H14Cl2N2O4S
Molecular Weight353.23 g/mol
Exact Mass352.01
IUPAC Name1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O4S/c13-9-4-1-5-10(14)11(9)15-21(19,20)16-6-2-3-8(7-16)12(17)18/h1,4-5,8,15H,2-3,6-7H2,(H,17,18)
InChIKeyHBFYIHKLRCCQCA-UHFFFAOYSA-N
XLogP2.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859885
1-[(2-chloro-5-fluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107526936
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859380
1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858070
1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859075
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 65482248
1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858588
1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 116786481
N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide
CID 62084795
1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107594803
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
1-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859714

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60857772) is 1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)Nc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is HBFYIHKLRCCQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4S/c13-9-4-1-5-10(14)11(9)15-21(19,20)16-6-2-3-8(7-16)12(17)18/h1,4-5,8,15H,2-3,6-7H2,(H,17,18).
What are the key properties of 1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 353.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60857772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).