8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid

C19H16BrNO5S — CID 2432126

IUPAC8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C19H16BrNO5S/c1-2-26-16-10-9-13(20)11-17(16)27(24,25)21-15-8-4-6-12-5-3-7-14(18(12)15)19(22)23/h3-11,21H,2H2,1H3,(H,22,23)
InChIKeyXEWLILCTXPVKEO-UHFFFAOYSA-N
MW450.31 g/mol
LogP4.50
Rot. Bonds6

About 8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid

8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid (PubChem CID 2432126) has the molecular formula C19H16BrNO5S and a molecular weight of 450.31 g/mol. Its IUPAC name is 8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid
PubChem CID2432126
Molecular FormulaC19H16BrNO5S
Molecular Weight450.31 g/mol
Exact Mass448.99
IUPAC Name8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C19H16BrNO5S/c1-2-26-16-10-9-13(20)11-17(16)27(24,25)21-15-8-4-6-12-5-3-7-14(18(12)15)19(22)23/h3-11,21H,2H2,1H3,(H,22,23)
InChIKeyXEWLILCTXPVKEO-UHFFFAOYSA-N
XLogP4.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.31
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730
5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide
CID 24663322
5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
CID 2161250
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
CID 2386375
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
5-[(5-bromo-2-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 62032156
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
CID 116798881

Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid?
The IUPAC name of 8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid (CID 2432126) is 8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid?
The canonical SMILES for 8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid is CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid?
The InChIKey is XEWLILCTXPVKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO5S/c1-2-26-16-10-9-13(20)11-17(16)27(24,25)21-15-8-4-6-12-5-3-7-14(18(12)15)19(22)23/h3-11,21H,2H2,1H3,(H,22,23).
What are the key properties of 8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid?
8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid has a molecular weight of 450.31 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid is sourced from PubChem (CID 2432126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).