1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide

C14H20N2O4S — CID 709839

IUPAC1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-20-12-3-5-13(6-4-12)21(18,19)16-9-7-11(8-10-16)14(15)17/h3-6,11H,2,7-10H2,1H3,(H2,15,17)
InChIKeyOKQPCCRQYXSRIQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.97
Rot. Bonds5

About 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide

1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 709839) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID709839
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-20-12-3-5-13(6-4-12)21(18,19)16-9-7-11(8-10-16)14(15)17/h3-6,11H,2,7-10H2,1H3,(H2,15,17)
InChIKeyOKQPCCRQYXSRIQ-UHFFFAOYSA-N
XLogP0.97
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 709839) is 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OKQPCCRQYXSRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-20-12-3-5-13(6-4-12)21(18,19)16-9-7-11(8-10-16)14(15)17/h3-6,11H,2,7-10H2,1H3,(H2,15,17).
What are the key properties of 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 709839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).