1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid

C17H13NO5S — CID 126480790

IUPAC1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccccc2)c2ccccc2c1O
InChIInChI=1S/C17H13NO5S/c19-16-13-9-5-4-8-12(13)15(10-14(16)17(20)21)24(22,23)18-11-6-2-1-3-7-11/h1-10,18-19H,(H,20,21)
InChIKeyFQYKYGOLAAXJPM-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.04
Rot. Bonds4

About 1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid

1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid (PubChem CID 126480790) has the molecular formula C17H13NO5S and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
PubChem CID126480790
Molecular FormulaC17H13NO5S
Molecular Weight343.36 g/mol
Exact Mass343.05
IUPAC Name1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccccc2)c2ccccc2c1O
InChIInChI=1S/C17H13NO5S/c19-16-13-9-5-4-8-12(13)15(10-14(16)17(20)21)24(22,23)18-11-6-2-1-3-7-11/h1-10,18-19H,(H,20,21)
InChIKeyFQYKYGOLAAXJPM-UHFFFAOYSA-N
XLogP3.04
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480781
4-[[2-carboxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalen-1-yl]oxymethyl-methylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480876
4-amino-2-(phenylsulfamoyl)benzoic acid
CID 102930725
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid
CID 164623522
N-phenylnaphthalene-1-sulfonamide
CID 3816137
4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
CID 154089670
3-acetyl-4-hydroxynaphthalene-1-sulfonic acid
CID 121013601
3-(phenylsulfamoyl)-4-propan-2-ylbenzoic acid
CID 56797596
7-hydroxy-1-N,3-N-diphenylnaphthalene-1,3-disulfonamide
CID 1376755
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
4-[[4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-yl]sulfonylamino]benzoic acid
CID 142891530

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid (CID 126480790) is 1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)c2ccccc2c1O.
What is the InChIKey of 1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid?
The InChIKey is FQYKYGOLAAXJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5S/c19-16-13-9-5-4-8-12(13)15(10-14(16)17(20)21)24(22,23)18-11-6-2-1-3-7-11/h1-10,18-19H,(H,20,21).
What are the key properties of 1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid?
1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid has a molecular weight of 343.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 126480790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).