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

C14H18N2O5S — CID 788623

IUPAC1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C14H18N2O5S/c1-10(17)15-12-2-4-13(5-3-12)22(20,21)16-8-6-11(7-9-16)14(18)19/h2-5,11H,6-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyZIGSKXXFCYUAMO-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.13
Rot. Bonds4

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

1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 788623) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID788623
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C14H18N2O5S/c1-10(17)15-12-2-4-13(5-3-12)22(20,21)16-8-6-11(7-9-16)14(18)19/h2-5,11H,6-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyZIGSKXXFCYUAMO-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

Sulfasuccinamide
CID 60582
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
1-{[4-(Acetylamino)phenyl]sulfonyl}piperidine-3-carboxylic acid
CID 2770164
1-((4-(Acetylamino)phenyl)sulfonyl)-2-piperidinecarboxylic acid
CID 2770165
4-(Valproylamido)Benzenesulfonamide
CID 10266719
Succinylsulfacetamide
CID 19656
2-(4-Acetamidobenzenesulfonamido)acetic acid
CID 271680
1-((4-Acetamidophenyl)sulfonamido)cyclohexane-1-carboxylic acid
CID 788631
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic Acid
CID 5144111
3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 697595

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid (CID 788623) is 1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is ZIGSKXXFCYUAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-10(17)15-12-2-4-13(5-3-12)22(20,21)16-8-6-11(7-9-16)14(18)19/h2-5,11H,6-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylic acid?
1-(4-acetamidophenyl)sulfonylpiperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 788623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).