methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate

C18H14FNO4S2 — CID 15340372

IUPACmethyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H14FNO4S2/c1-24-18(21)16-10-15(11-4-8-14(9-5-11)26(20,22)23)17(25-16)12-2-6-13(19)7-3-12/h2-10H,1H3,(H2,20,22,23)
InChIKeyHCFVSOWMOSKBIS-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.66
Rot. Bonds4

About methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate

methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate (PubChem CID 15340372) has the molecular formula C18H14FNO4S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate
PubChem CID15340372
Molecular FormulaC18H14FNO4S2
Molecular Weight391.45 g/mol
Exact Mass391.03
IUPAC Namemethyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H14FNO4S2/c1-24-18(21)16-10-15(11-4-8-14(9-5-11)26(20,22)23)17(25-16)12-2-6-13(19)7-3-12/h2-10H,1H3,(H2,20,22,23)
InChIKeyHCFVSOWMOSKBIS-UHFFFAOYSA-N
XLogP3.66
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate (CID 15340372) is methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate is COC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The InChIKey is HCFVSOWMOSKBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S2/c1-24-18(21)16-10-15(11-4-8-14(9-5-11)26(20,22)23)17(25-16)12-2-6-13(19)7-3-12/h2-10H,1H3,(H2,20,22,23).
What are the key properties of methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate?
methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate has a molecular weight of 391.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-4-(4-sulfamoylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 15340372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).