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

C18H14FNO5S — CID 22181958

IUPACmethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate
SMILESCOC(=O)c1occ(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H14FNO5S/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)
InChIKeySICXEBSORIKACL-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.19
Rot. Bonds4

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

methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate (PubChem CID 22181958) has the molecular formula C18H14FNO5S and a molecular weight of 375.38 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate
PubChem CID22181958
Molecular FormulaC18H14FNO5S
Molecular Weight375.38 g/mol
Exact Mass375.06
IUPAC Namemethyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate
SMILESCOC(=O)c1occ(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H14FNO5S/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)
InChIKeySICXEBSORIKACL-UHFFFAOYSA-N
XLogP3.19
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.19
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)furan-2-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate (CID 22181958) is methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate is COC(=O)c1occ(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate?
The InChIKey is SICXEBSORIKACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO5S/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)furan-2-carboxylate?
methyl 4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)furan-2-carboxylate has a molecular weight of 375.38 g/mol, XLogP of 3.19, 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)furan-2-carboxylate is sourced from PubChem (CID 22181958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).