methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate

C15H14FNO4S — CID 67044384

IUPACmethyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO4S/c1-21-15(18)13-4-2-3-5-14(13)22(19,20)17-10-11-6-8-12(16)9-7-11/h2-9,17H,10H2,1H3
InChIKeyIYNXYGUSIFLKBV-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.09
Rot. Bonds5

About methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate

methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate (PubChem CID 67044384) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate
PubChem CID67044384
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Namemethyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO4S/c1-21-15(18)13-4-2-3-5-14(13)22(19,20)17-10-11-6-8-12(16)9-7-11/h2-9,17H,10H2,1H3
InChIKeyIYNXYGUSIFLKBV-UHFFFAOYSA-N
XLogP2.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate (CID 67044384) is methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate?
The InChIKey is IYNXYGUSIFLKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-21-15(18)13-4-2-3-5-14(13)22(19,20)17-10-11-6-8-12(16)9-7-11/h2-9,17H,10H2,1H3.
What are the key properties of methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate?
methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate has a molecular weight of 323.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methylsulfamoyl]benzoate is sourced from PubChem (CID 67044384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).