4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid

C25H21NO4S — CID 11568190

IUPAC4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H21NO4S/c27-25(28)21-13-10-18(11-14-21)9-12-20-6-3-4-8-24(20)26-31(29,30)23-16-15-19-5-1-2-7-22(19)17-23/h1-8,10-11,13-17,26H,9,12H2,(H,27,28)
InChIKeyPOJDKGBXWFSTOF-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.12
Rot. Bonds7

About 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid

4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid (PubChem CID 11568190) has the molecular formula C25H21NO4S and a molecular weight of 431.51 g/mol. Its IUPAC name is 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid
PubChem CID11568190
Molecular FormulaC25H21NO4S
Molecular Weight431.51 g/mol
Exact Mass431.12
IUPAC Name4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H21NO4S/c27-25(28)21-13-10-18(11-14-21)9-12-20-6-3-4-8-24(20)26-31(29,30)23-16-15-19-5-1-2-7-22(19)17-23/h1-8,10-11,13-17,26H,9,12H2,(H,27,28)
InChIKeyPOJDKGBXWFSTOF-UHFFFAOYSA-N
XLogP5.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid?
The IUPAC name of 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid (CID 11568190) is 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid is O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid?
The InChIKey is POJDKGBXWFSTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4S/c27-25(28)21-13-10-18(11-14-21)9-12-20-6-3-4-8-24(20)26-31(29,30)23-16-15-19-5-1-2-7-22(19)17-23/h1-8,10-11,13-17,26H,9,12H2,(H,27,28).
What are the key properties of 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid?
4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid has a molecular weight of 431.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(naphthalen-2-ylsulfonylamino)phenyl]ethyl]benzoic acid is sourced from PubChem (CID 11568190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).