2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid

C12H10FN3O4S — CID 114324371

IUPAC2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNS(=O)(=O)c2cncc(F)c2)c1
InChIInChI=1S/C12H10FN3O4S/c13-9-4-11(7-14-5-9)21(19,20)16-6-10-3-8(12(17)18)1-2-15-10/h1-5,7,16H,6H2,(H,17,18)
InChIKeyNHYSTPFHMRCDBV-UHFFFAOYSA-N
MW311.29 g/mol
LogP0.79
Rot. Bonds5

About 2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid

2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324371) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
PubChem CID114324371
Molecular FormulaC12H10FN3O4S
Molecular Weight311.29 g/mol
Exact Mass311.04
IUPAC Name2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNS(=O)(=O)c2cncc(F)c2)c1
InChIInChI=1S/C12H10FN3O4S/c13-9-4-11(7-14-5-9)21(19,20)16-6-10-3-8(12(17)18)1-2-15-10/h1-5,7,16H,6H2,(H,17,18)
InChIKeyNHYSTPFHMRCDBV-UHFFFAOYSA-N
XLogP0.79
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3-fluorophenyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
CID 114324375
2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid
CID 138041125
4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828319
2-[(prop-2-enylsulfonylamino)methyl]pyridine-4-carboxylic acid
CID 114324399
1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312114
2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324148
2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid
CID 154742969
5-(ethylsulfamoyl)pyridine-3-carboxylic acid
CID 57336582
4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid
CID 139003554
2-[(2-carbamoyl-4-fluoroanilino)methyl]pyridine-4-carboxylic acid
CID 114324590
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[(pyridin-4-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325097

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid (CID 114324371) is 2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CNS(=O)(=O)c2cncc(F)c2)c1.
What is the InChIKey of 2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid?
The InChIKey is NHYSTPFHMRCDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c13-9-4-11(7-14-5-9)21(19,20)16-6-10-3-8(12(17)18)1-2-15-10/h1-5,7,16H,6H2,(H,17,18).
What are the key properties of 2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid?
2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid has a molecular weight of 311.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).