4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid

C23H15Cl2NO6S — CID 126480823

IUPAC4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c2ccccc2c1O
InChIInChI=1S/C23H15Cl2NO6S/c24-13-5-10-20(19(25)11-13)32-15-8-6-14(7-9-15)26-33(30,31)21-12-18(23(28)29)22(27)17-4-2-1-3-16(17)21/h1-12,26-27H,(H,28,29)
InChIKeyMHLNOPQXHVWPEC-UHFFFAOYSA-N
MW504.35 g/mol
LogP6.14
Rot. Bonds6

About 4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid

4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid (PubChem CID 126480823) has the molecular formula C23H15Cl2NO6S and a molecular weight of 504.35 g/mol. Its IUPAC name is 4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
PubChem CID126480823
Molecular FormulaC23H15Cl2NO6S
Molecular Weight504.35 g/mol
Exact Mass503.00
IUPAC Name4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c2ccccc2c1O
InChIInChI=1S/C23H15Cl2NO6S/c24-13-5-10-20(19(25)11-13)32-15-8-6-14(7-9-15)26-33(30,31)21-12-18(23(28)29)22(27)17-4-2-1-3-16(17)21/h1-12,26-27H,(H,28,29)
InChIKeyMHLNOPQXHVWPEC-UHFFFAOYSA-N
XLogP6.14
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.35
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic 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-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid (CID 126480823) is 4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c2ccccc2c1O.
What is the InChIKey of 4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is MHLNOPQXHVWPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO6S/c24-13-5-10-20(19(25)11-13)32-15-8-6-14(7-9-15)26-33(30,31)21-12-18(23(28)29)22(27)17-4-2-1-3-16(17)21/h1-12,26-27H,(H,28,29).
What are the key properties of 4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 504.35 g/mol, XLogP of 6.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 126480823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).