[(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate

C19H22FNO4S — CID 7694440

IUPAC[(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO4S/c1-4-21(5-2)26(23,24)18-8-6-7-16(13-18)19(22)25-14(3)15-9-11-17(20)12-10-15/h6-14H,4-5H2,1-3H3/t14-/m1/s1
InChIKeySCBFHELHFATTJW-CQSZACIVSA-N
MW379.45 g/mol
LogP3.77
Rot. Bonds7

About [(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate

[(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate (PubChem CID 7694440) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate
PubChem CID7694440
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC Name[(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO4S/c1-4-21(5-2)26(23,24)18-8-6-7-16(13-18)19(22)25-14(3)15-9-11-17(20)12-10-15/h6-14H,4-5H2,1-3H3/t14-/m1/s1
InChIKeySCBFHELHFATTJW-CQSZACIVSA-N
XLogP3.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate (CID 7694440) is [(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate?
The InChIKey is SCBFHELHFATTJW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-4-21(5-2)26(23,24)18-8-6-7-16(13-18)19(22)25-14(3)15-9-11-17(20)12-10-15/h6-14H,4-5H2,1-3H3/t14-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate?
[(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate has a molecular weight of 379.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)ethyl] 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 7694440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).