4-piperidin-1-ylsulfonylbenzoic acid

C12H15NO4S — CID 746555

IUPAC4-piperidin-1-ylsulfonylbenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
InChIKeyUQNINMUUJYRESG-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.56
Rot. Bonds3

About 4-piperidin-1-ylsulfonylbenzoic acid

4-piperidin-1-ylsulfonylbenzoic acid (PubChem CID 746555) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonylbenzoic acid
PubChem CID746555
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-piperidin-1-ylsulfonylbenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
InChIKeyUQNINMUUJYRESG-UHFFFAOYSA-N
XLogP1.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonylbenzoic acid?
The IUPAC name of 4-piperidin-1-ylsulfonylbenzoic acid (CID 746555) is 4-piperidin-1-ylsulfonylbenzoic acid.
What is the SMILES notation for 4-piperidin-1-ylsulfonylbenzoic acid?
The canonical SMILES for 4-piperidin-1-ylsulfonylbenzoic acid is O=C(O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-ylsulfonylbenzoic acid?
The InChIKey is UQNINMUUJYRESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15).
What are the key properties of 4-piperidin-1-ylsulfonylbenzoic acid?
4-piperidin-1-ylsulfonylbenzoic acid has a molecular weight of 269.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonylbenzoic acid is sourced from PubChem (CID 746555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).