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

C14H19NO4S — CID 723331

IUPAC1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C14H19NO4S/c1-2-11-3-5-13(6-4-11)20(18,19)15-9-7-12(8-10-15)14(16)17/h3-6,12H,2,7-10H2,1H3,(H,16,17)
InChIKeyOSBDCONCGNJQOD-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.73
Rot. Bonds4

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

1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 723331) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID723331
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C14H19NO4S/c1-2-11-3-5-13(6-4-11)20(18,19)15-9-7-12(8-10-15)14(16)17/h3-6,12H,2,7-10H2,1H3,(H,16,17)
InChIKeyOSBDCONCGNJQOD-UHFFFAOYSA-N
XLogP1.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 98738
CID 98738
CID 2928142
CID 2928142
CID 16776857
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CID 818681
CID 818681
CID 885509
CID 885509
CID 1714937
CID 1714937
CID 811844
CID 811844
CID 2769960
CID 2769960
CID 3109998
CID 3109998
CID 2904514
CID 2904514
CID 257095
CID 257095
CID 737840
CID 737840

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid (CID 723331) is 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid is CCc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is OSBDCONCGNJQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-11-3-5-13(6-4-11)20(18,19)15-9-7-12(8-10-15)14(16)17/h3-6,12H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid?
1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 723331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).