1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide

C21H33FN2O3S — CID 46549939

IUPAC1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
SMILESCCCCCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H33FN2O3S/c1-2-3-4-5-6-7-10-15-23-21(25)18-13-16-24(17-14-18)28(26,27)20-12-9-8-11-19(20)22/h8-9,11-12,18H,2-7,10,13-17H2,1H3,(H,23,25)
InChIKeyICKAGYVGARSCMO-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.09
Rot. Bonds11

About 1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide (PubChem CID 46549939) has the molecular formula C21H33FN2O3S and a molecular weight of 412.57 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
PubChem CID46549939
Molecular FormulaC21H33FN2O3S
Molecular Weight412.57 g/mol
Exact Mass412.22
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
SMILESCCCCCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H33FN2O3S/c1-2-3-4-5-6-7-10-15-23-21(25)18-13-16-24(17-14-18)28(26,27)20-12-9-8-11-19(20)22/h8-9,11-12,18H,2-7,10,13-17H2,1H3,(H,23,25)
InChIKeyICKAGYVGARSCMO-UHFFFAOYSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 43007840
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 27040123
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
1-(2-fluorophenyl)sulfonyl-N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-4-carboxamide
CID 39512997
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 113005630

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide (CID 46549939) is 1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide is CCCCCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide?
The InChIKey is ICKAGYVGARSCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2O3S/c1-2-3-4-5-6-7-10-15-23-21(25)18-13-16-24(17-14-18)28(26,27)20-12-9-8-11-19(20)22/h8-9,11-12,18H,2-7,10,13-17H2,1H3,(H,23,25).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide has a molecular weight of 412.57 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide is sourced from PubChem (CID 46549939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).