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

C17H12ClNO5S — CID 126480864

IUPAC4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c2ccccc2c1O
InChIInChI=1S/C17H12ClNO5S/c18-10-5-7-11(8-6-10)19-25(23,24)15-9-14(17(21)22)16(20)13-4-2-1-3-12(13)15/h1-9,19-20H,(H,21,22)
InChIKeyHTZLXGBKGMWQAM-UHFFFAOYSA-N
MW377.81 g/mol
LogP3.70
Rot. Bonds4

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

4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid (PubChem CID 126480864) has the molecular formula C17H12ClNO5S and a molecular weight of 377.81 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
PubChem CID126480864
Molecular FormulaC17H12ClNO5S
Molecular Weight377.81 g/mol
Exact Mass377.01
IUPAC Name4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c2ccccc2c1O
InChIInChI=1S/C17H12ClNO5S/c18-10-5-7-11(8-6-10)19-25(23,24)15-9-14(17(21)22)16(20)13-4-2-1-3-12(13)15/h1-9,19-20H,(H,21,22)
InChIKeyHTZLXGBKGMWQAM-UHFFFAOYSA-N
XLogP3.70
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid (CID 126480864) is 4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c2ccccc2c1O.
What is the InChIKey of 4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is HTZLXGBKGMWQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO5S/c18-10-5-7-11(8-6-10)19-25(23,24)15-9-14(17(21)22)16(20)13-4-2-1-3-12(13)15/h1-9,19-20H,(H,21,22).
What are the key properties of 4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 377.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 126480864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).