2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid

C13H11FN2O4S — CID 114324375

IUPAC2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C13H11FN2O4S/c14-10-2-1-3-12(7-10)21(19,20)16-8-11-6-9(13(17)18)4-5-15-11/h1-7,16H,8H2,(H,17,18)
InChIKeyYCFAOEOEJABSEV-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.40
Rot. Bonds5

About 2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid

2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324375) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
PubChem CID114324375
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C13H11FN2O4S/c14-10-2-1-3-12(7-10)21(19,20)16-8-11-6-9(13(17)18)4-5-15-11/h1-7,16H,8H2,(H,17,18)
InChIKeyYCFAOEOEJABSEV-UHFFFAOYSA-N
XLogP1.40
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
CID 114324371
2-[(prop-2-enylsulfonylamino)methyl]pyridine-4-carboxylic acid
CID 114324399
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-(3-fluorophenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060896
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
3-fluoro-4-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 63190334
2-[[(3-fluorophenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221060
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid
CID 114324590
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
3-bromo-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
CID 4112319

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid (CID 114324375) is 2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CNS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of 2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid?
The InChIKey is YCFAOEOEJABSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c14-10-2-1-3-12(7-10)21(19,20)16-8-11-6-9(13(17)18)4-5-15-11/h1-7,16H,8H2,(H,17,18).
What are the key properties of 2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid?
2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).