N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide

C14H19FN2O3S — CID 110726948

IUPACN-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H19FN2O3S/c1-10-9-13(3-4-14(10)15)21(19,20)17-7-5-12(6-8-17)16-11(2)18/h3-4,9,12H,5-8H2,1-2H3,(H,16,18)
InChIKeyPFLGUXFPASHBGU-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.42
Rot. Bonds3

About N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide

N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 110726948) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID110726948
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H19FN2O3S/c1-10-9-13(3-4-14(10)15)21(19,20)17-7-5-12(6-8-17)16-11(2)18/h3-4,9,12H,5-8H2,1-2H3,(H,16,18)
InChIKeyPFLGUXFPASHBGU-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823231
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458559
N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458647
[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 113003143
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide (CID 110726948) is N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide is CC(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is PFLGUXFPASHBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-10-9-13(3-4-14(10)15)21(19,20)17-7-5-12(6-8-17)16-11(2)18/h3-4,9,12H,5-8H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 314.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 110726948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).