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

C23H16ClNO6S — CID 126480791

IUPAC4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2ccccc2c1O
InChIInChI=1S/C23H16ClNO6S/c24-14-5-9-16(10-6-14)31-17-11-7-15(8-12-17)25-32(29,30)21-13-20(23(27)28)22(26)19-4-2-1-3-18(19)21/h1-13,25-26H,(H,27,28)
InChIKeyQPDPLLDGNLPFGI-UHFFFAOYSA-N
MW469.90 g/mol
LogP5.49
Rot. Bonds6

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

4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid (PubChem CID 126480791) has the molecular formula C23H16ClNO6S and a molecular weight of 469.90 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
PubChem CID126480791
Molecular FormulaC23H16ClNO6S
Molecular Weight469.90 g/mol
Exact Mass469.04
IUPAC Name4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2ccccc2c1O
InChIInChI=1S/C23H16ClNO6S/c24-14-5-9-16(10-6-14)31-17-11-7-15(8-12-17)25-32(29,30)21-13-20(23(27)28)22(26)19-4-2-1-3-18(19)21/h1-13,25-26H,(H,27,28)
InChIKeyQPDPLLDGNLPFGI-UHFFFAOYSA-N
XLogP5.49
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.90
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[Benzyl-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480728
4-[[4-(4-Chloro-3,5-dimethylphenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480736
1-Hydroxy-4-[2-methylpropyl-(4-propan-2-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
CID 126480749
4-[[4-(3,5-Dimethylphenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480788
4-[[4-(4-Chloro-3,5-dimethylphenoxy)phenyl]-(2-methylpropyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480820
4-[[4-(3-Bromophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480821
1-Hydroxy-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]naphthalene-2-carboxylic acid
CID 126480822
4-[[4-(2,4-Dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480823
4-[[4-(4-Chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480868
1-Hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
CID 126480874
4-Chloro-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 145981654
3-Chloro-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 145992166

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid (CID 126480791) is 4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2ccccc2c1O.
What is the InChIKey of 4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is QPDPLLDGNLPFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO6S/c24-14-5-9-16(10-6-14)31-17-11-7-15(8-12-17)25-32(29,30)21-13-20(23(27)28)22(26)19-4-2-1-3-18(19)21/h1-13,25-26H,(H,27,28).
What are the key properties of 4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 469.90 g/mol, XLogP of 5.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 126480791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).