2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid

C14H17Cl2NO5S — CID 59746447

IUPAC2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO5S/c15-11-5-3-6-12(16)14(11)23(20,21)17-7-2-1-4-10(17)8-22-9-13(18)19/h3,5-6,10H,1-2,4,7-9H2,(H,18,19)
InChIKeyRDQREKFLOBQZKM-UHFFFAOYSA-N
MW382.27 g/mol
LogP2.64
Rot. Bonds6

About 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid

2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid (PubChem CID 59746447) has the molecular formula C14H17Cl2NO5S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
PubChem CID59746447
Molecular FormulaC14H17Cl2NO5S
Molecular Weight382.27 g/mol
Exact Mass381.02
IUPAC Name2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO5S/c15-11-5-3-6-12(16)14(11)23(20,21)17-7-2-1-4-10(17)8-22-9-13(18)19/h3,5-6,10H,1-2,4,7-9H2,(H,18,19)
InChIKeyRDQREKFLOBQZKM-UHFFFAOYSA-N
XLogP2.64
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid (CID 59746447) is 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid is O=C(O)COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The InChIKey is RDQREKFLOBQZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO5S/c15-11-5-3-6-12(16)14(11)23(20,21)17-7-2-1-4-10(17)8-22-9-13(18)19/h3,5-6,10H,1-2,4,7-9H2,(H,18,19).
What are the key properties of 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid has a molecular weight of 382.27 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid is sourced from PubChem (CID 59746447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).