[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate

C15H16FNO5S — CID 55730675

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1F
InChIInChI=1S/C15H16FNO5S/c1-10-4-5-11(8-13(10)16)15(18)21-9-12-6-7-14(22-12)23(19,20)17(2)3/h4-8H,9H2,1-3H3
InChIKeyCNFZKDXJPUUXSV-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.33
Rot. Bonds5

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate (PubChem CID 55730675) has the molecular formula C15H16FNO5S and a molecular weight of 341.36 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate
PubChem CID55730675
Molecular FormulaC15H16FNO5S
Molecular Weight341.36 g/mol
Exact Mass341.07
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1F
InChIInChI=1S/C15H16FNO5S/c1-10-4-5-11(8-13(10)16)15(18)21-9-12-6-7-14(22-12)23(19,20)17(2)3/h4-8H,9H2,1-3H3
InChIKeyCNFZKDXJPUUXSV-UHFFFAOYSA-N
XLogP2.33
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate (CID 55730675) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate is Cc1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1F.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate?
The InChIKey is CNFZKDXJPUUXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO5S/c1-10-4-5-11(8-13(10)16)15(18)21-9-12-6-7-14(22-12)23(19,20)17(2)3/h4-8H,9H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate has a molecular weight of 341.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-fluoro-4-methylbenzoate is sourced from PubChem (CID 55730675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).