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

C13H17FN2O4S — CID 43097841

IUPAC4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCCCN1S(=O)(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H17FN2O4S/c1-9-4-2-3-7-16(9)21(19,20)15-12-8-10(14)5-6-11(12)13(17)18/h5-6,8-9,15H,2-4,7H2,1H3,(H,17,18)
InChIKeyUFSKPNRUVVSKRM-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.06
Rot. Bonds4

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

4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid (PubChem CID 43097841) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
PubChem CID43097841
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCCCN1S(=O)(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H17FN2O4S/c1-9-4-2-3-7-16(9)21(19,20)15-12-8-10(14)5-6-11(12)13(17)18/h5-6,8-9,15H,2-4,7H2,1H3,(H,17,18)
InChIKeyUFSKPNRUVVSKRM-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-[(2-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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid (CID 43097841) is 4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid is CC1CCCCN1S(=O)(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The InChIKey is UFSKPNRUVVSKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-9-4-2-3-7-16(9)21(19,20)15-12-8-10(14)5-6-11(12)13(17)18/h5-6,8-9,15H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid has a molecular weight of 316.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 43097841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).