1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid

C14H18N2O5S — CID 2770164

IUPAC1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O5S/c1-10(17)15-12-4-6-13(7-5-12)22(20,21)16-8-2-3-11(9-16)14(18)19/h4-7,11H,2-3,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyXSHYXBVTNCEQGF-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.13
Rot. Bonds4

About 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid

1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 2770164) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid
PubChem CID2770164
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O5S/c1-10(17)15-12-4-6-13(7-5-12)22(20,21)16-8-2-3-11(9-16)14(18)19/h4-7,11H,2-3,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyXSHYXBVTNCEQGF-UHFFFAOYSA-N
XLogP1.13
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-(Acetylamino)phenyl)sulfonyl)-2-piperidinecarboxylic acid
CID 2770165
4-(4-Sulfamoyl-phenylcarbamoyl)-butyric acid
CID 733060
4-((4-(Piperidin-1-ylsulfonyl)phenyl)amino)butanoic acid
CID 2829407
Ethyl 1-{[4-(acetylamino)phenyl]sulfonyl}piperidine-3-carboxylate
CID 2905048
2-(4-Acetylamino-benzenesulfonylamino)-butyric acid
CID 540360
1-(4-Acetylamino-benzenesulfonyl)-piperidine-4-carboxylic acid
CID 788623
Methyl 4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenylcarbamate
CID 2936379
2-({4-[(4-Methylpiperidin-1-yl)sulfonyl]anilino}carbonyl)cyclohexanecarboxylic acid
CID 1079853
1-({4-[(Methoxycarbonyl)amino]phenyl}sulfonyl)piperidine-2-carboxylic acid
CID 2769963
(4-Acetylamino-benzenesulfonylamino)-cyclohexa-1,4-dienyl-acetic acid
CID 2998261
3-({[4-(acetylamino)phenyl]sulfonyl}amino)-N-(sec-butyl)-4-methylpentanamide
CID 3631615
2-Ethyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid
CID 4615453

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid (CID 2770164) is 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is XSHYXBVTNCEQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-10(17)15-12-4-6-13(7-5-12)22(20,21)16-8-2-3-11(9-16)14(18)19/h4-7,11H,2-3,8-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid?
1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 2770164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).