ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate

C19H16FNO4S2 — CID 22182029

IUPACethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1scc(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H16FNO4S2/c1-2-25-19(22)18-17(13-5-9-15(10-6-13)27(21,23)24)16(11-26-18)12-3-7-14(20)8-4-12/h3-11H,2H2,1H3,(H2,21,23,24)
InChIKeyPPCZVGVAWMSJQM-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.05
Rot. Bonds5

About ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate

ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate (PubChem CID 22182029) has the molecular formula C19H16FNO4S2 and a molecular weight of 405.47 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
PubChem CID22182029
Molecular FormulaC19H16FNO4S2
Molecular Weight405.47 g/mol
Exact Mass405.05
IUPAC Nameethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1scc(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H16FNO4S2/c1-2-25-19(22)18-17(13-5-9-15(10-6-13)27(21,23)24)16(11-26-18)12-3-7-14(20)8-4-12/h3-11H,2H2,1H3,(H2,21,23,24)
InChIKeyPPCZVGVAWMSJQM-UHFFFAOYSA-N
XLogP4.05
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate (CID 22182029) is ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate is CCOC(=O)c1scc(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The InChIKey is PPCZVGVAWMSJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S2/c1-2-25-19(22)18-17(13-5-9-15(10-6-13)27(21,23)24)16(11-26-18)12-3-7-14(20)8-4-12/h3-11H,2H2,1H3,(H2,21,23,24).
What are the key properties of ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate has a molecular weight of 405.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 22182029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).