1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

C14H20N2O5S — CID 709843

IUPAC1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H20N2O5S/c1-20-11-3-4-12(21-2)13(9-11)22(18,19)16-7-5-10(6-8-16)14(15)17/h3-4,9-10H,5-8H2,1-2H3,(H2,15,17)
InChIKeyABZHIVQZERJJSJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.59
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 709843) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID709843
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H20N2O5S/c1-20-11-3-4-12(21-2)13(9-11)22(18,19)16-7-5-10(6-8-16)14(15)17/h3-4,9-10H,5-8H2,1-2H3,(H2,15,17)
InChIKeyABZHIVQZERJJSJ-UHFFFAOYSA-N
XLogP0.59
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 113005630
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1085510
N-(2,5-dichlorophenyl)-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 126326321
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-(2,5-dimethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 99967724
(5-bromo-2,3-dihydroindol-1-yl)-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 100799676
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874841
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
CID 2758390
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 709843) is 1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ABZHIVQZERJJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-20-11-3-4-12(21-2)13(9-11)22(18,19)16-7-5-10(6-8-16)14(15)17/h3-4,9-10H,5-8H2,1-2H3,(H2,15,17).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 709843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).