2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid

C24H24FNO5S — CID 59350856

IUPAC2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid
SMILESCCCN(CC)S(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccc(F)cc23)cc1
InChIInChI=1S/C24H24FNO5S/c1-3-11-26(4-2)32(30,31)20-9-6-17(7-10-20)24(29)22-13-16(14-23(27)28)12-18-5-8-19(25)15-21(18)22/h5-10,12-13,15H,3-4,11,14H2,1-2H3,(H,27,28)
InChIKeyNTYCQKOHGFXDQA-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.26
Rot. Bonds9

About 2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid

2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid (PubChem CID 59350856) has the molecular formula C24H24FNO5S and a molecular weight of 457.52 g/mol. Its IUPAC name is 2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid
PubChem CID59350856
Molecular FormulaC24H24FNO5S
Molecular Weight457.52 g/mol
Exact Mass457.14
IUPAC Name2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid
SMILESCCCN(CC)S(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccc(F)cc23)cc1
InChIInChI=1S/C24H24FNO5S/c1-3-11-26(4-2)32(30,31)20-9-6-17(7-10-20)24(29)22-13-16(14-23(27)28)12-18-5-8-19(25)15-21(18)22/h5-10,12-13,15H,3-4,11,14H2,1-2H3,(H,27,28)
InChIKeyNTYCQKOHGFXDQA-UHFFFAOYSA-N
XLogP4.26
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid (CID 59350856) is 2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid is CCCN(CC)S(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccc(F)cc23)cc1.
What is the InChIKey of 2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid?
The InChIKey is NTYCQKOHGFXDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO5S/c1-3-11-26(4-2)32(30,31)20-9-6-17(7-10-20)24(29)22-13-16(14-23(27)28)12-18-5-8-19(25)15-21(18)22/h5-10,12-13,15H,3-4,11,14H2,1-2H3,(H,27,28).
What are the key properties of 2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid?
2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid has a molecular weight of 457.52 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[ethyl(propyl)sulfamoyl]benzoyl]-6-fluoronaphthalen-2-yl]acetic acid is sourced from PubChem (CID 59350856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).