3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid

C12H15NO5S — CID 16783100

IUPAC3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C12H15NO5S/c14-10-4-6-13(7-5-10)19(17,18)11-3-1-2-9(8-11)12(15)16/h1-3,8,10,14H,4-7H2,(H,15,16)
InChIKeyLCHGGMBWTRYBKW-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.53
Rot. Bonds3

About 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid

3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid (PubChem CID 16783100) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
PubChem CID16783100
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C12H15NO5S/c14-10-4-6-13(7-5-10)19(17,18)11-3-1-2-9(8-11)12(15)16/h1-3,8,10,14H,4-7H2,(H,15,16)
InChIKeyLCHGGMBWTRYBKW-UHFFFAOYSA-N
XLogP0.53
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 106835672
3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 167493964
3-piperazin-1-ylsulfonylbenzoic acid
CID 18801880
3-(4-ethoxypiperidin-1-yl)sulfonylbenzoic acid
CID 61216502
3-(3,4-dimethylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 79189026
3-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 6487028
3-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]prop-2-enoic acid
CID 76907058
3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonylbenzoic acid
CID 107215477
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]sulfonylbenzoic acid
CID 110628834
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylbenzoic acid
CID 141107133

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid (CID 16783100) is 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid is O=C(O)c1cccc(S(=O)(=O)N2CCC(O)CC2)c1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid?
The InChIKey is LCHGGMBWTRYBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c14-10-4-6-13(7-5-10)19(17,18)11-3-1-2-9(8-11)12(15)16/h1-3,8,10,14H,4-7H2,(H,15,16).
What are the key properties of 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid?
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid has a molecular weight of 285.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid is sourced from PubChem (CID 16783100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).