2-(4-piperidin-1-ylsulfonylphenyl)acetic acid

C13H17NO4S — CID 2389227

IUPAC2-(4-piperidin-1-ylsulfonylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H17NO4S/c15-13(16)10-11-4-6-12(7-5-11)19(17,18)14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)
InChIKeyNNUIKHKGHUBPMY-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.49
Rot. Bonds4

About 2-(4-piperidin-1-ylsulfonylphenyl)acetic acid

2-(4-piperidin-1-ylsulfonylphenyl)acetic acid (PubChem CID 2389227) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylsulfonylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-piperidin-1-ylsulfonylphenyl)acetic acid
PubChem CID2389227
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-(4-piperidin-1-ylsulfonylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H17NO4S/c15-13(16)10-11-4-6-12(7-5-11)19(17,18)14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)
InChIKeyNNUIKHKGHUBPMY-UHFFFAOYSA-N
XLogP1.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylsulfonylphenyl)acetic acid?
The IUPAC name of 2-(4-piperidin-1-ylsulfonylphenyl)acetic acid (CID 2389227) is 2-(4-piperidin-1-ylsulfonylphenyl)acetic acid.
What is the SMILES notation for 2-(4-piperidin-1-ylsulfonylphenyl)acetic acid?
The canonical SMILES for 2-(4-piperidin-1-ylsulfonylphenyl)acetic acid is O=C(O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-piperidin-1-ylsulfonylphenyl)acetic acid?
The InChIKey is NNUIKHKGHUBPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-13(16)10-11-4-6-12(7-5-11)19(17,18)14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16).
What are the key properties of 2-(4-piperidin-1-ylsulfonylphenyl)acetic acid?
2-(4-piperidin-1-ylsulfonylphenyl)acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylsulfonylphenyl)acetic acid is sourced from PubChem (CID 2389227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).