1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid

C21H15NO5S — CID 126480781

IUPAC1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c2ccccc2c1O
InChIInChI=1S/C21H15NO5S/c23-20-17-8-4-3-7-16(17)19(12-18(20)21(24)25)28(26,27)22-15-10-9-13-5-1-2-6-14(13)11-15/h1-12,22-23H,(H,24,25)
InChIKeyJAMJDESZLZEKIH-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.20
Rot. Bonds4

About 1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid

1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid (PubChem CID 126480781) has the molecular formula C21H15NO5S and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid
PubChem CID126480781
Molecular FormulaC21H15NO5S
Molecular Weight393.42 g/mol
Exact Mass393.07
IUPAC Name1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c2ccccc2c1O
InChIInChI=1S/C21H15NO5S/c23-20-17-8-4-3-7-16(17)19(12-18(20)21(24)25)28(26,27)22-15-10-9-13-5-1-2-6-14(13)11-15/h1-12,22-23H,(H,24,25)
InChIKeyJAMJDESZLZEKIH-UHFFFAOYSA-N
XLogP4.20
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480790
4-[[2-carboxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalen-1-yl]oxymethyl-methylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480876
2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid
CID 164623522
N-naphthalen-2-yl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10226081
5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
CID 155532593
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
2-fluoro-5-[(4-pentoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 155532366
1-hydroxy-4-(4-propan-2-yloxyanilino)sulfanylnaphthalene-2-carboxylic acid
CID 145232962
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
7-hydroxy-1-N,3-N-diphenylnaphthalene-1,3-disulfonamide
CID 1376755
5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
CID 61112730
2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
CID 58937102

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid (CID 126480781) is 1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c2ccccc2c1O.
What is the InChIKey of 1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid?
The InChIKey is JAMJDESZLZEKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5S/c23-20-17-8-4-3-7-16(17)19(12-18(20)21(24)25)28(26,27)22-15-10-9-13-5-1-2-6-14(13)11-15/h1-12,22-23H,(H,24,25).
What are the key properties of 1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid?
1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid has a molecular weight of 393.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 126480781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).