methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate

C13H12FNO4S2 — CID 16832127

IUPACmethyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H12FNO4S2/c1-8-3-4-9(7-10(8)14)15-21(17,18)11-5-6-20-12(11)13(16)19-2/h3-7,15H,1-2H3
InChIKeyLEYGWGJIDXRAGT-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.78
Rot. Bonds4

About methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 16832127) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID16832127
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Namemethyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H12FNO4S2/c1-8-3-4-9(7-10(8)14)15-21(17,18)11-5-6-20-12(11)13(16)19-2/h3-7,15H,1-2H3
InChIKeyLEYGWGJIDXRAGT-UHFFFAOYSA-N
XLogP2.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate (CID 16832127) is methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is LEYGWGJIDXRAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-8-3-4-9(7-10(8)14)15-21(17,18)11-5-6-20-12(11)13(16)19-2/h3-7,15H,1-2H3.
What are the key properties of methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 329.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 16832127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).