2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid

C13H15F2NO4S — CID 61010119

IUPAC2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO4S/c14-9-4-5-11(15)12(7-9)21(19,20)16-6-2-1-3-10(16)8-13(17)18/h4-5,7,10H,1-3,6,8H2,(H,17,18)
InChIKeyGIWWIMYFKLWCNO-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.98
Rot. Bonds4

About 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid

2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid (PubChem CID 61010119) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid
PubChem CID61010119
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC Name2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO4S/c14-9-4-5-11(15)12(7-9)21(19,20)16-6-2-1-3-10(16)8-13(17)18/h4-5,7,10H,1-3,6,8H2,(H,17,18)
InChIKeyGIWWIMYFKLWCNO-UHFFFAOYSA-N
XLogP1.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylazepane
CID 116639751
2-(2-bromoethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 80671795
2-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]acetic acid
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2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 63397513
2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 95632899
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61372074
2-[[1-(2,5-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazole
CID 126852616
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 105400230
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid
CID 61009148
2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 63397673
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid (CID 61010119) is 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid?
The InChIKey is GIWWIMYFKLWCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4S/c14-9-4-5-11(15)12(7-9)21(19,20)16-6-2-1-3-10(16)8-13(17)18/h4-5,7,10H,1-3,6,8H2,(H,17,18).
What are the key properties of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid?
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid has a molecular weight of 319.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid is sourced from PubChem (CID 61010119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).