2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide

C13H16ClFN2O3S — CID 75508926

IUPAC2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C13H16ClFN2O3S/c14-10-4-1-5-11(15)13(10)21(19,20)17-6-2-3-9(8-17)7-12(16)18/h1,4-5,9H,2-3,6-8H2,(H2,16,18)
InChIKeyJVCJSHPVWUIHPM-UHFFFAOYSA-N
MW334.80 g/mol
LogP1.76
Rot. Bonds4

About 2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide

2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide (PubChem CID 75508926) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
PubChem CID75508926
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC Name2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C13H16ClFN2O3S/c14-10-4-1-5-11(15)13(10)21(19,20)17-6-2-3-9(8-17)7-12(16)18/h1,4-5,9H,2-3,6-8H2,(H2,16,18)
InChIKeyJVCJSHPVWUIHPM-UHFFFAOYSA-N
XLogP1.76
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-(2,6-difluorophenyl)sulfonylpiperidine-3-carboxylate
CID 92977544
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 119971159
1-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 120709783
[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 43589685
2-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727311
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439
2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744958
2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 47319368
1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine
CID 120998816
1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120711455
2-[(3S)-1-(4-cyano-2,6-difluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 166279535
1-[1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 120999029

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide (CID 75508926) is 2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide is NC(=O)CC1CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1.
What is the InChIKey of 2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide?
The InChIKey is JVCJSHPVWUIHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c14-10-4-1-5-11(15)13(10)21(19,20)17-6-2-3-9(8-17)7-12(16)18/h1,4-5,9H,2-3,6-8H2,(H2,16,18).
What are the key properties of 2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide?
2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide has a molecular weight of 334.80 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide is sourced from PubChem (CID 75508926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).