1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid

C27H19NO6S — CID 126480874

IUPAC1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)c2ccccc2c1O
InChIInChI=1S/C27H19NO6S/c29-26-22-10-4-3-9-21(22)25(16-23(26)27(30)31)35(32,33)28-18-12-14-19(15-13-18)34-24-11-5-7-17-6-1-2-8-20(17)24/h1-16,28-29H,(H,30,31)
InChIKeyHUVMSVVLGFEMKU-UHFFFAOYSA-N
MW485.52 g/mol
LogP5.99
Rot. Bonds6

About 1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid

1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid (PubChem CID 126480874) has the molecular formula C27H19NO6S and a molecular weight of 485.52 g/mol. Its IUPAC name is 1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
PubChem CID126480874
Molecular FormulaC27H19NO6S
Molecular Weight485.52 g/mol
Exact Mass485.09
IUPAC Name1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)c2ccccc2c1O
InChIInChI=1S/C27H19NO6S/c29-26-22-10-4-3-9-21(22)25(16-23(26)27(30)31)35(32,33)28-18-12-14-19(15-13-18)34-24-11-5-7-17-6-1-2-8-20(17)24/h1-16,28-29H,(H,30,31)
InChIKeyHUVMSVVLGFEMKU-UHFFFAOYSA-N
XLogP5.99
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.52
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methylnaphthalen-1-Yl)-2-{[(4-Phenoxyphenyl)sulfonyl]amino}benzoic Acid
CID 73167580
2-Fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 134158371
4-Fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 134158372
2-Fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 134158373
2-Methyl-5-[[4-(3-methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2470819
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-Chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480791
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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid (CID 126480874) is 1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)c2ccccc2c1O.
What is the InChIKey of 1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid?
The InChIKey is HUVMSVVLGFEMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO6S/c29-26-22-10-4-3-9-21(22)25(16-23(26)27(30)31)35(32,33)28-18-12-14-19(15-13-18)34-24-11-5-7-17-6-1-2-8-20(17)24/h1-16,28-29H,(H,30,31).
What are the key properties of 1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid?
1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid has a molecular weight of 485.52 g/mol, XLogP of 5.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 126480874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).