5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid

C13H17FN2O4S — CID 29033784

IUPAC5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCN(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)CC1
InChIInChI=1S/C13H17FN2O4S/c1-9-4-6-16(7-5-9)21(19,20)15-12-3-2-10(14)8-11(12)13(17)18/h2-3,8-9,15H,4-7H2,1H3,(H,17,18)
InChIKeyJGUIRHJDUWXNNG-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.91
Rot. Bonds4

About 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid

5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid (PubChem CID 29033784) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
PubChem CID29033784
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCN(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)CC1
InChIInChI=1S/C13H17FN2O4S/c1-9-4-6-16(7-5-9)21(19,20)15-12-3-2-10(14)8-11(12)13(17)18/h2-3,8-9,15H,4-7H2,1H3,(H,17,18)
InChIKeyJGUIRHJDUWXNNG-UHFFFAOYSA-N
XLogP1.91
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic 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

2-Methanesulfonamidobenzoic acid
CID 786039
2-Amino-5-fluorobenzoic acid
CID 101412
4-Fluoroanthranilic acid
CID 2724967
Benzoic acid, 2-(ethylamino)-
CID 66642
2-(Butylamino)benzoic acid
CID 205327
2-(4-Methylpiperazin-1-yl)benzoic acid
CID 1120459
2-(Cyclohexylamino)benzoic acid
CID 19826721
2-((2-Carboxyethyl)amino)benzoic acid
CID 266800
2-(Piperidin-1-yl)benzoic acid
CID 737325
Benzoic acid, 2-((((1-methylethyl)amino)sulfonyl)amino)-
CID 170111
5-Fluoro-2-methanesulfonamidobenzoic acid
CID 24709579
2-(1-Piperazinyl)benzoic acid
CID 2760432

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid (CID 29033784) is 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid is CC1CCN(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)CC1.
What is the InChIKey of 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The InChIKey is JGUIRHJDUWXNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-9-4-6-16(7-5-9)21(19,20)15-12-3-2-10(14)8-11(12)13(17)18/h2-3,8-9,15H,4-7H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid has a molecular weight of 316.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 29033784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).