4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid

C14H20FNO4S — CID 60950552

IUPAC4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C14H20FNO4S/c1-3-16(21(19,20)10-4-5-14(17)18)11(2)12-6-8-13(15)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyWJTKKFUXXRJWRA-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.40
Rot. Bonds8

About 4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid

4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid (PubChem CID 60950552) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is 4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid
PubChem CID60950552
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C14H20FNO4S/c1-3-16(21(19,20)10-4-5-14(17)18)11(2)12-6-8-13(15)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyWJTKKFUXXRJWRA-UHFFFAOYSA-N
XLogP2.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid (CID 60950552) is 4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid is CCN(C(C)c1ccc(F)cc1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid?
The InChIKey is WJTKKFUXXRJWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-3-16(21(19,20)10-4-5-14(17)18)11(2)12-6-8-13(15)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid?
4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid has a molecular weight of 317.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[1-(4-fluorophenyl)ethyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 60950552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).