2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid

C17H11Cl2NO4S — CID 2473303

IUPAC2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc3ccccc23)c(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO4S/c18-13-9-14(19)16(8-12(13)17(21)22)25(23,24)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9,20H,(H,21,22)
InChIKeyBLOKKBJGKJFRLK-UHFFFAOYSA-N
MW396.25 g/mol
LogP4.65
Rot. Bonds4

About 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid

2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid (PubChem CID 2473303) has the molecular formula C17H11Cl2NO4S and a molecular weight of 396.25 g/mol. Its IUPAC name is 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid
PubChem CID2473303
Molecular FormulaC17H11Cl2NO4S
Molecular Weight396.25 g/mol
Exact Mass394.98
IUPAC Name2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc3ccccc23)c(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO4S/c18-13-9-14(19)16(8-12(13)17(21)22)25(23,24)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9,20H,(H,21,22)
InChIKeyBLOKKBJGKJFRLK-UHFFFAOYSA-N
XLogP4.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)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 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid (CID 2473303) is 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccc3ccccc23)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid?
The InChIKey is BLOKKBJGKJFRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO4S/c18-13-9-14(19)16(8-12(13)17(21)22)25(23,24)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9,20H,(H,21,22).
What are the key properties of 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid?
2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid has a molecular weight of 396.25 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 2473303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).