3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid

C14H20N2O5S — CID 166242124

IUPAC3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid
SMILESCOC1CCN(S(=O)(=O)Nc2cc(C)cc(C(=O)O)c2)CC1
InChIInChI=1S/C14H20N2O5S/c1-10-7-11(14(17)18)9-12(8-10)15-22(19,20)16-5-3-13(21-2)4-6-16/h7-9,13,15H,3-6H2,1-2H3,(H,17,18)
InChIKeyGTHXBQPSKLIFKZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.46
Rot. Bonds5

About 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid

3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid (PubChem CID 166242124) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid.

Molecular Properties

Compound Name3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid
PubChem CID166242124
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid
SMILESCOC1CCN(S(=O)(=O)Nc2cc(C)cc(C(=O)O)c2)CC1
InChIInChI=1S/C14H20N2O5S/c1-10-7-11(14(17)18)9-12(8-10)15-22(19,20)16-5-3-13(21-2)4-6-16/h7-9,13,15H,3-6H2,1-2H3,(H,17,18)
InChIKeyGTHXBQPSKLIFKZ-UHFFFAOYSA-N
XLogP1.46
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid?
The IUPAC name of 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid (CID 166242124) is 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid.
What is the SMILES notation for 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid?
The canonical SMILES for 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid is COC1CCN(S(=O)(=O)Nc2cc(C)cc(C(=O)O)c2)CC1.
What is the InChIKey of 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid?
The InChIKey is GTHXBQPSKLIFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-10-7-11(14(17)18)9-12(8-10)15-22(19,20)16-5-3-13(21-2)4-6-16/h7-9,13,15H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid?
3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid has a molecular weight of 328.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid is sourced from PubChem (CID 166242124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).