methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate

C11H9FN2O4S2 — CID 103775769

IUPACmethyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H9FN2O4S2/c1-18-11(15)10-8(4-5-19-10)20(16,17)14-7-2-3-9(12)13-6-7/h2-6,14H,1H3
InChIKeyZDAVZRUGXPFZIM-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.87
Rot. Bonds4

About methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 103775769) has the molecular formula C11H9FN2O4S2 and a molecular weight of 316.34 g/mol. Its IUPAC name is methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID103775769
Molecular FormulaC11H9FN2O4S2
Molecular Weight316.34 g/mol
Exact Mass316.00
IUPAC Namemethyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H9FN2O4S2/c1-18-11(15)10-8(4-5-19-10)20(16,17)14-7-2-3-9(12)13-6-7/h2-6,14H,1H3
InChIKeyZDAVZRUGXPFZIM-UHFFFAOYSA-N
XLogP1.87
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 24817068
Methyl 3-((4-((pyridin-2-ylthio)methyl)piperidin-1-yl)sulfonyl)thiophene-2-carboxylate
CID 71800752
methyl 3-(N-(1-(pyridin-2-yl)pyrrolidin-3-yl)sulfamoyl)thiophene-2-carboxylate
CID 76149431
methyl 3-(N-((2-(thiophen-2-yl)pyridin-3-yl)methyl)sulfamoyl)thiophene-2-carboxylate
CID 91625862
Methyl 4-(4-fluoropicolinamido)thiophene-2-carboxylate
CID 58035636
Methyl 3-[3-fluoro-2-(2-fluoro-3-pyridinyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylthiophene-2-carboxylate
CID 67152705
4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide
CID 6503752
Methyl 3-[(2-fluoro-5-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 56349990
Methyl 3-[[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 56400628
3-[(5-Fluoro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylic acid
CID 61782870
5-[(5-Fluoro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylic acid
CID 61784437
Methyl 3-[(5-fluoro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 61784982

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate (CID 103775769) is methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc(F)nc1.
What is the InChIKey of methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is ZDAVZRUGXPFZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S2/c1-18-11(15)10-8(4-5-19-10)20(16,17)14-7-2-3-9(12)13-6-7/h2-6,14H,1H3.
What are the key properties of methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 316.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 103775769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).