2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid

C18H15NO4S — CID 2412067

IUPAC2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15NO4S/c20-18(21)11-13-5-8-16(9-6-13)19-24(22,23)17-10-7-14-3-1-2-4-15(14)12-17/h1-10,12,19H,11H2,(H,20,21)
InChIKeyDMWBQJUULJVOPA-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.27
Rot. Bonds5

About 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid

2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid (PubChem CID 2412067) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
PubChem CID2412067
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15NO4S/c20-18(21)11-13-5-8-16(9-6-13)19-24(22,23)17-10-7-14-3-1-2-4-15(14)12-17/h1-10,12,19H,11H2,(H,20,21)
InChIKeyDMWBQJUULJVOPA-UHFFFAOYSA-N
XLogP3.27
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
2-[2-[2-[4-(naphthalen-2-ylsulfonylamino)phenoxy]ethoxy]phenyl]acetic acid
CID 11655897
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide
CID 18774828
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 17491785
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 7042185
2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
CID 6461297
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid
CID 166219737

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid (CID 2412067) is 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid?
The InChIKey is DMWBQJUULJVOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c20-18(21)11-13-5-8-16(9-6-13)19-24(22,23)17-10-7-14-3-1-2-4-15(14)12-17/h1-10,12,19H,11H2,(H,20,21).
What are the key properties of 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid?
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid has a molecular weight of 341.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid is sourced from PubChem (CID 2412067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).