2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid

C14H18ClNO5S — CID 59746498

IUPAC2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO5S/c15-11-4-6-13(7-5-11)22(19,20)16-8-2-1-3-12(16)9-21-10-14(17)18/h4-7,12H,1-3,8-10H2,(H,17,18)
InChIKeyRFTZPRJQNVGVHO-UHFFFAOYSA-N
MW347.82 g/mol
LogP1.98
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid

2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid (PubChem CID 59746498) has the molecular formula C14H18ClNO5S and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
PubChem CID59746498
Molecular FormulaC14H18ClNO5S
Molecular Weight347.82 g/mol
Exact Mass347.06
IUPAC Name2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO5S/c15-11-4-6-13(7-5-11)22(19,20)16-8-2-1-3-12(16)9-21-10-14(17)18/h4-7,12H,1-3,8-10H2,(H,17,18)
InChIKeyRFTZPRJQNVGVHO-UHFFFAOYSA-N
XLogP1.98
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid (CID 59746498) is 2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid is O=C(O)COCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
The InChIKey is RFTZPRJQNVGVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO5S/c15-11-4-6-13(7-5-11)22(19,20)16-8-2-1-3-12(16)9-21-10-14(17)18/h4-7,12H,1-3,8-10H2,(H,17,18).
What are the key properties of 2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid?
2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid has a molecular weight of 347.82 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid is sourced from PubChem (CID 59746498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).