5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate

C13H10FN2O4S- — CID 131742514

IUPAC5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate
SMILESO=C([O-])c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H11FN2O4S/c14-10-2-4-11(5-3-10)21(19,20)16-8-9-1-6-12(13(17)18)15-7-9/h1-7,16H,8H2,(H,17,18)/p-1
InChIKeyQIRFBUYBNIDCNH-UHFFFAOYSA-M
MW309.30 g/mol
LogP0.06
Rot. Bonds5

About 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate

5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate (PubChem CID 131742514) has the molecular formula C13H10FN2O4S- and a molecular weight of 309.30 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate
PubChem CID131742514
Molecular FormulaC13H10FN2O4S-
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate
SMILESO=C([O-])c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H11FN2O4S/c14-10-2-4-11(5-3-10)21(19,20)16-8-9-1-6-12(13(17)18)15-7-9/h1-7,16H,8H2,(H,17,18)/p-1
InChIKeyQIRFBUYBNIDCNH-UHFFFAOYSA-M
XLogP0.06
TPSA99.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate 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

5-[(4-fluorophenyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614024
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
CID 114613015
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 43455024
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763
lithium 5-ethylpyridine-2-carboxylate
CID 58074033
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 42580746

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate?
The IUPAC name of 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate (CID 131742514) is 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate?
The canonical SMILES for 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate is O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate?
The InChIKey is QIRFBUYBNIDCNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11FN2O4S/c14-10-2-4-11(5-3-10)21(19,20)16-8-9-1-6-12(13(17)18)15-7-9/h1-7,16H,8H2,(H,17,18)/p-1.
What are the key properties of 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate?
5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate has a molecular weight of 309.30 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 131742514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).