1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide

C14H19FN2O4S — CID 651280

IUPAC1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O4S/c15-12-1-3-13(4-2-12)22(20,21)17-8-5-11(6-9-17)14(19)16-7-10-18/h1-4,11,18H,5-10H2,(H,16,19)
InChIKeyCRWMKHSWSNGTOE-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.33
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 651280) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID651280
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O4S/c15-12-1-3-13(4-2-12)22(20,21)17-8-5-11(6-9-17)14(19)16-7-10-18/h1-4,11,18H,5-10H2,(H,16,19)
InChIKeyCRWMKHSWSNGTOE-UHFFFAOYSA-N
XLogP0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzenesulfonyl-piperidine-4-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 645869
N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 2059107
1-Benzenesulfonyl-piperidine-4-carboxylic acid (1-methyl-butyl)-amide
CID 3156759
1-[3-[(2-Fluorophenyl)sulfonylamino]propanoyl]isonipecotamide
CID 25161663
N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26516405
N-(3-(cyclopropylamino)-3-oxopropyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 8073313
1-((4-fluorophenyl)sulfonyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8035226
1-(benzenesulfonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 802615
N-allyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 2920725
1-[(4-fluorophenyl)sulfonyl]-N-(3-methylbutyl)-3-piperidinecarboxamide
CID 2964488
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide
CID 11728473
4-fluoro-N-{[4-(morpholin-4-ylcarbonyl)cyclohexyl]methyl}benzenesulfonamide
CID 3467300

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 651280) is 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide is O=C(NCCO)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is CRWMKHSWSNGTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c15-12-1-3-13(4-2-12)22(20,21)17-8-5-11(6-9-17)14(19)16-7-10-18/h1-4,11,18H,5-10H2,(H,16,19).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 651280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).