N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide

C13H17FN2O3S — CID 47304951

IUPACN-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H17FN2O3S/c1-10(17)15-12-5-3-7-16(9-12)20(18,19)13-6-2-4-11(14)8-13/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,15,17)
InChIKeyMHWMHUUQTLKRTO-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.11
Rot. Bonds3

About N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide

N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide (PubChem CID 47304951) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
PubChem CID47304951
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC NameN-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H17FN2O3S/c1-10(17)15-12-5-3-7-16(9-12)20(18,19)13-6-2-4-11(14)8-13/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,15,17)
InChIKeyMHWMHUUQTLKRTO-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124553884
4-(3-acetamidopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61068084
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439
N-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 26412918
N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 35398779
1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900
ethyl (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 81307363
N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 23992171
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 63397711
N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 97313143

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide?
The IUPAC name of N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide (CID 47304951) is N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide is CC(=O)NC1CCCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide?
The InChIKey is MHWMHUUQTLKRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-10(17)15-12-5-3-7-16(9-12)20(18,19)13-6-2-4-11(14)8-13/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,15,17).
What are the key properties of N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide?
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide is sourced from PubChem (CID 47304951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).