[(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate

C16H16FNO5S — CID 7467890

IUPAC[(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO5S/c1-10(11-3-5-12(17)6-4-11)23-16(19)14-9-13(24(18,20)21)7-8-15(14)22-2/h3-10H,1-2H3,(H2,18,20,21)/t10-/m1/s1
InChIKeyYSONCDXCBYGSPC-SNVBAGLBSA-N
MW353.37 g/mol
LogP2.40
Rot. Bonds5

About [(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate

[(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate (PubChem CID 7467890) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate
PubChem CID7467890
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name[(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO5S/c1-10(11-3-5-12(17)6-4-11)23-16(19)14-9-13(24(18,20)21)7-8-15(14)22-2/h3-10H,1-2H3,(H2,18,20,21)/t10-/m1/s1
InChIKeyYSONCDXCBYGSPC-SNVBAGLBSA-N
XLogP2.40
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate (CID 7467890) is [(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate is COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate?
The InChIKey is YSONCDXCBYGSPC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-10(11-3-5-12(17)6-4-11)23-16(19)14-9-13(24(18,20)21)7-8-15(14)22-2/h3-10H,1-2H3,(H2,18,20,21)/t10-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate?
[(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate has a molecular weight of 353.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 7467890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).