2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid

C23H24FNO4S — CID 71711511

IUPAC2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2c(C)c(CC(=O)O)cc3ccc(F)cc23)cc1
InChIInChI=1S/C23H24FNO4S/c1-4-25(5-2)30(28,29)20-10-7-16(8-11-20)23-15(3)18(13-22(26)27)12-17-6-9-19(24)14-21(17)23/h6-12,14H,4-5,13H2,1-3H3,(H,26,27)
InChIKeyOEFOUMPMQIIMIS-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.61
Rot. Bonds7

About 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid

2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid (PubChem CID 71711511) has the molecular formula C23H24FNO4S and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
PubChem CID71711511
Molecular FormulaC23H24FNO4S
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC Name2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2c(C)c(CC(=O)O)cc3ccc(F)cc23)cc1
InChIInChI=1S/C23H24FNO4S/c1-4-25(5-2)30(28,29)20-10-7-16(8-11-20)23-15(3)18(13-22(26)27)12-17-6-9-19(24)14-21(17)23/h6-12,14H,4-5,13H2,1-3H3,(H,26,27)
InChIKeyOEFOUMPMQIIMIS-UHFFFAOYSA-N
XLogP4.61
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid (CID 71711511) is 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid is CCN(CC)S(=O)(=O)c1ccc(-c2c(C)c(CC(=O)O)cc3ccc(F)cc23)cc1.
What is the InChIKey of 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid?
The InChIKey is OEFOUMPMQIIMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4S/c1-4-25(5-2)30(28,29)20-10-7-16(8-11-20)23-15(3)18(13-22(26)27)12-17-6-9-19(24)14-21(17)23/h6-12,14H,4-5,13H2,1-3H3,(H,26,27).
What are the key properties of 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid?
2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid has a molecular weight of 429.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid is sourced from PubChem (CID 71711511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).