4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide

C14H19FN2O3S — CID 93417335

IUPAC4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H19FN2O3S/c1-11(14(18)17-9-3-2-4-10-17)16-21(19,20)13-7-5-12(15)6-8-13/h5-8,11,16H,2-4,9-10H2,1H3/t11-/m1/s1
InChIKeyVIGKRSSWQDLBPO-LLVKDONJSA-N
MW314.38 g/mol
LogP1.50
Rot. Bonds4

About 4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide

4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide (PubChem CID 93417335) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
PubChem CID93417335
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H19FN2O3S/c1-11(14(18)17-9-3-2-4-10-17)16-21(19,20)13-7-5-12(15)6-8-13/h5-8,11,16H,2-4,9-10H2,1H3/t11-/m1/s1
InChIKeyVIGKRSSWQDLBPO-LLVKDONJSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
3-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94217942
N-[(2S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55935351
4-ethyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94654828
3-chloro-4-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94797865
4-fluoro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 9255097
4-bromo-N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 124545824
4-fluoro-N-[(2S)-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 9255096
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 4037453
N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
CID 27661594
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 51969222
4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 40811378

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide (CID 93417335) is 4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCCC1.
What is the InChIKey of 4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is VIGKRSSWQDLBPO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-11(14(18)17-9-3-2-4-10-17)16-21(19,20)13-7-5-12(15)6-8-13/h5-8,11,16H,2-4,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 93417335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).