2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid

C19H17NO5S — CID 19694547

IUPAC2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
SMILESO=C(O)COc1cccc2c(S(=O)(=O)NCc3ccccc3)cccc12
InChIInChI=1S/C19H17NO5S/c21-19(22)13-25-17-10-4-9-16-15(17)8-5-11-18(16)26(23,24)20-12-14-6-2-1-3-7-14/h1-11,20H,12-13H2,(H,21,22)
InChIKeyWSPULZSLEXODDJ-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.78
Rot. Bonds7

About 2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid

2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid (PubChem CID 19694547) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
PubChem CID19694547
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
SMILESO=C(O)COc1cccc2c(S(=O)(=O)NCc3ccccc3)cccc12
InChIInChI=1S/C19H17NO5S/c21-19(22)13-25-17-10-4-9-16-15(17)8-5-11-18(16)26(23,24)20-12-14-6-2-1-3-7-14/h1-11,20H,12-13H2,(H,21,22)
InChIKeyWSPULZSLEXODDJ-UHFFFAOYSA-N
XLogP2.78
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-benzyl-4-hydroxynaphthalene-1-sulfonamide
CID 57096004
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
CID 7342391
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 69048106
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185
2-[4-[[(2-methylphenyl)sulfonylamino]methyl]-2-phenylphenoxy]acetic acid
CID 67529105
2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 15908539
2-(2-chlorosulfonylphenoxy)acetic acid
CID 54560500

Frequently Asked Questions

What is the IUPAC name of 2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid (CID 19694547) is 2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid is O=C(O)COc1cccc2c(S(=O)(=O)NCc3ccccc3)cccc12.
What is the InChIKey of 2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid?
The InChIKey is WSPULZSLEXODDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c21-19(22)13-25-17-10-4-9-16-15(17)8-5-11-18(16)26(23,24)20-12-14-6-2-1-3-7-14/h1-11,20H,12-13H2,(H,21,22).
What are the key properties of 2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid?
2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid has a molecular weight of 371.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 19694547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).