N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide

C15H21FN2O3S — CID 110823232

IUPACN-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C15H21FN2O3S/c1-3-15(19)17-13-6-8-18(9-7-13)22(20,21)14-5-4-12(16)10-11(14)2/h4-5,10,13H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyJUOSXDRWIBBIDB-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.81
Rot. Bonds4

About N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide

N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 110823232) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
PubChem CID110823232
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C15H21FN2O3S/c1-3-15(19)17-13-6-8-18(9-7-13)22(20,21)14-5-4-12(16)10-11(14)2/h4-5,10,13H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyJUOSXDRWIBBIDB-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 35400886
2-(4-fluorophenyl)-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559494
N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide
CID 61109197
methyl 4-(4-fluoro-2-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818500
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide
CID 42866734
methyl 1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305546
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811098
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 114507294
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide (CID 110823232) is N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide is CCC(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1.
What is the InChIKey of N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is JUOSXDRWIBBIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-3-15(19)17-13-6-8-18(9-7-13)22(20,21)14-5-4-12(16)10-11(14)2/h4-5,10,13H,3,6-9H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 328.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 110823232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).