3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate

C15H12ClFNO4S- — CID 8934203

IUPAC3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate
SMILESO=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1
InChIInChI=1S/C15H13ClFNO4S/c16-12-2-1-3-13(15(12)17)18-23(21,22)11-7-4-10(5-8-11)6-9-14(19)20/h1-5,7-8,18H,6,9H2,(H,19,20)/p-1
InChIKeyLOFLXZFOLSGGLE-UHFFFAOYSA-M
MW356.78 g/mol
LogP1.96
Rot. Bonds6

About 3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate

3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate (PubChem CID 8934203) has the molecular formula C15H12ClFNO4S- and a molecular weight of 356.78 g/mol. Its IUPAC name is 3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate.

Molecular Properties

Compound Name3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate
PubChem CID8934203
Molecular FormulaC15H12ClFNO4S-
Molecular Weight356.78 g/mol
Exact Mass356.02
IUPAC Name3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate
SMILESO=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1
InChIInChI=1S/C15H13ClFNO4S/c16-12-2-1-3-13(15(12)17)18-23(21,22)11-7-4-10(5-8-11)6-9-14(19)20/h1-5,7-8,18H,6,9H2,(H,19,20)/p-1
InChIKeyLOFLXZFOLSGGLE-UHFFFAOYSA-M
XLogP1.96
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate?
The IUPAC name of 3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate (CID 8934203) is 3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate.
What is the SMILES notation for 3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate?
The canonical SMILES for 3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate is O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1.
What is the InChIKey of 3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate?
The InChIKey is LOFLXZFOLSGGLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13ClFNO4S/c16-12-2-1-3-13(15(12)17)18-23(21,22)11-7-4-10(5-8-11)6-9-14(19)20/h1-5,7-8,18H,6,9H2,(H,19,20)/p-1.
What are the key properties of 3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate?
3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate has a molecular weight of 356.78 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate is sourced from PubChem (CID 8934203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).