N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide

C14H19FN2O3S — CID 107327407

IUPACN-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2c(C)cc(F)cc2C)C1
InChIInChI=1S/C14H19FN2O3S/c1-9-6-12(15)7-10(2)14(9)21(19,20)17-5-4-13(8-17)16-11(3)18/h6-7,13H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyUTIVZGBKACCWBW-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.34
Rot. Bonds3

About N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide

N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide (PubChem CID 107327407) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide
PubChem CID107327407
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2c(C)cc(F)cc2C)C1
InChIInChI=1S/C14H19FN2O3S/c1-9-6-12(15)7-10(2)14(9)21(19,20)17-5-4-13(8-17)16-11(3)18/h6-7,13H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyUTIVZGBKACCWBW-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458647
1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone
CID 107327681
[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 107326673
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide
CID 113402571
N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]acetamide
CID 113402030
N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide
CID 113402591
1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300442
4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine
CID 107326940
1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine-3-carboximidamide
CID 107329515
1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine
CID 107327150

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide (CID 107327407) is N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(S(=O)(=O)c2c(C)cc(F)cc2C)C1.
What is the InChIKey of N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide?
The InChIKey is UTIVZGBKACCWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-9-6-12(15)7-10(2)14(9)21(19,20)17-5-4-13(8-17)16-11(3)18/h6-7,13H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide?
N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide has a molecular weight of 314.38 g/mol, XLogP of 1.34, 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-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 107327407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).