methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate

C12H11FN2O4S2 — CID 102794847

IUPACmethyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(F)nc1
InChIInChI=1S/C12H11FN2O4S2/c1-7-6-20-10(12(16)19-2)11(7)21(17,18)15-8-3-4-9(13)14-5-8/h3-6,15H,1-2H3
InChIKeyCYZNTLPOIUUDAS-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.18
Rot. Bonds4

About methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102794847) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102794847
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Namemethyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(F)nc1
InChIInChI=1S/C12H11FN2O4S2/c1-7-6-20-10(12(16)19-2)11(7)21(17,18)15-8-3-4-9(13)14-5-8/h3-6,15H,1-2H3
InChIKeyCYZNTLPOIUUDAS-UHFFFAOYSA-N
XLogP2.18
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.18
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-(N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)sulfamoyl)thiophene-2-carboxylate
CID 76151168
methyl 3-(N-((2-(thiophen-2-yl)pyridin-3-yl)methyl)sulfamoyl)thiophene-2-carboxylate
CID 91625862
Methyl 3-[3-fluoro-2-(2-fluoro-3-pyridinyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylthiophene-2-carboxylate
CID 67152705
Ethyl 4-[2-[(2-bromo-3-pyridinyl)amino]ethyl]-3-fluorothiophene-2-carboxylate
CID 137384486
Ethyl 4-[2-[(2-bromo-3-pyridinyl)-(4-methylphenyl)sulfonylamino]ethyl]-3-fluorothiophene-2-carboxylate
CID 145759198
Methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate
CID 3723347
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
Methyl 3-[(6-fluoropyridine-3-carbonyl)amino]thiophene-2-carboxylate
CID 60300161
Methyl 3-[(5-fluoro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 61784982
Methyl 5-[(5-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 72138254

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 102794847) is methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(F)nc1.
What is the InChIKey of methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is CYZNTLPOIUUDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c1-7-6-20-10(12(16)19-2)11(7)21(17,18)15-8-3-4-9(13)14-5-8/h3-6,15H,1-2H3.
What are the key properties of methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 330.36 g/mol, XLogP of 2.18, 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]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102794847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).