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

C18H14FNO4S2 — CID 22182041

IUPACmethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H14FNO4S2/c1-24-18(21)17-16(12-4-8-14(9-5-12)26(20,22)23)15(10-25-17)11-2-6-13(19)7-3-11/h2-10H,1H3,(H2,20,22,23)
InChIKeyFZMTXBSZTWSNSW-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.66
Rot. Bonds4

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

methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate (PubChem CID 22182041) has the molecular formula C18H14FNO4S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
PubChem CID22182041
Molecular FormulaC18H14FNO4S2
Molecular Weight391.45 g/mol
Exact Mass391.03
IUPAC Namemethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H14FNO4S2/c1-24-18(21)17-16(12-4-8-14(9-5-12)26(20,22)23)15(10-25-17)11-2-6-13(19)7-3-11/h2-10H,1H3,(H2,20,22,23)
InChIKeyFZMTXBSZTWSNSW-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 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate (CID 22182041) is methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate is COC(=O)c1scc(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The InChIKey is FZMTXBSZTWSNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S2/c1-24-18(21)17-16(12-4-8-14(9-5-12)26(20,22)23)15(10-25-17)11-2-6-13(19)7-3-11/h2-10H,1H3,(H2,20,22,23).
What are the key properties of methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
methyl 4-(4-fluorophenyl)-3-(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 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 22182041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).