dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

C15H14FNO6S2 — CID 2535544

IUPACdimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(F)cc2)c(C(=O)OC)c1C
InChIInChI=1S/C15H14FNO6S2/c1-8-11(13(18)22-2)15(24-12(8)14(19)23-3)25(20,21)17-10-6-4-9(16)5-7-10/h4-7,17H,1-3H3
InChIKeyJMZWHIOJRBUQND-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.57
Rot. Bonds5

About dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 2535544) has the molecular formula C15H14FNO6S2 and a molecular weight of 387.41 g/mol. Its IUPAC name is dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
PubChem CID2535544
Molecular FormulaC15H14FNO6S2
Molecular Weight387.41 g/mol
Exact Mass387.02
IUPAC Namedimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(F)cc2)c(C(=O)OC)c1C
InChIInChI=1S/C15H14FNO6S2/c1-8-11(13(18)22-2)15(24-12(8)14(19)23-3)25(20,21)17-10-6-4-9(16)5-7-10/h4-7,17H,1-3H3
InChIKeyJMZWHIOJRBUQND-UHFFFAOYSA-N
XLogP2.57
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (CID 2535544) is dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(S(=O)(=O)Nc2ccc(F)cc2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is JMZWHIOJRBUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO6S2/c1-8-11(13(18)22-2)15(24-12(8)14(19)23-3)25(20,21)17-10-6-4-9(16)5-7-10/h4-7,17H,1-3H3.
What are the key properties of dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 387.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 2535544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).