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

C15H13F2NO6S2 — CID 4796493

IUPACdimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(C(=O)OC)c1C
InChIInChI=1S/C15H13F2NO6S2/c1-7-11(13(19)23-2)15(25-12(7)14(20)24-3)26(21,22)18-8-4-5-9(16)10(17)6-8/h4-6,18H,1-3H3
InChIKeyPQWOEQFQRODLGF-UHFFFAOYSA-N
MW405.40 g/mol
LogP2.71
Rot. Bonds5

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

dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 4796493) has the molecular formula C15H13F2NO6S2 and a molecular weight of 405.40 g/mol. Its IUPAC name is dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
PubChem CID4796493
Molecular FormulaC15H13F2NO6S2
Molecular Weight405.40 g/mol
Exact Mass405.02
IUPAC Namedimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(C(=O)OC)c1C
InChIInChI=1S/C15H13F2NO6S2/c1-7-11(13(19)23-2)15(25-12(7)14(20)24-3)26(21,22)18-8-4-5-9(16)10(17)6-8/h4-6,18H,1-3H3
InChIKeyPQWOEQFQRODLGF-UHFFFAOYSA-N
XLogP2.71
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (CID 4796493) is dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is PQWOEQFQRODLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO6S2/c1-7-11(13(19)23-2)15(25-12(7)14(20)24-3)26(21,22)18-8-4-5-9(16)10(17)6-8/h4-6,18H,1-3H3.
What are the key properties of dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 405.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 4796493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).