methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate

C19H18FNO4S — CID 22917517

IUPACmethyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC(c2ccc(F)cc2)=C(c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C19H18FNO4S/c1-25-19(22)14-10-17(12-2-6-15(20)7-3-12)18(11-14)13-4-8-16(9-5-13)26(21,23)24/h2-9,14H,10-11H2,1H3,(H2,21,23,24)
InChIKeyJIGIUVHWDCLYPM-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.97
Rot. Bonds4

About methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate

methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate (PubChem CID 22917517) has the molecular formula C19H18FNO4S and a molecular weight of 375.42 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate
PubChem CID22917517
Molecular FormulaC19H18FNO4S
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Namemethyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC(c2ccc(F)cc2)=C(c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C19H18FNO4S/c1-25-19(22)14-10-17(12-2-6-15(20)7-3-12)18(11-14)13-4-8-16(9-5-13)26(21,23)24/h2-9,14H,10-11H2,1H3,(H2,21,23,24)
InChIKeyJIGIUVHWDCLYPM-UHFFFAOYSA-N
XLogP2.97
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate (CID 22917517) is methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate is COC(=O)C1CC(c2ccc(F)cc2)=C(c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate?
The InChIKey is JIGIUVHWDCLYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4S/c1-25-19(22)14-10-17(12-2-6-15(20)7-3-12)18(11-14)13-4-8-16(9-5-13)26(21,23)24/h2-9,14H,10-11H2,1H3,(H2,21,23,24).
What are the key properties of methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate?
methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate has a molecular weight of 375.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 22917517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).