4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid

C18H15NO4S — CID 67120728

IUPAC4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H15NO4S/c20-18(21)15-10-8-13(9-11-15)12-19-24(22,23)17-7-3-5-14-4-1-2-6-16(14)17/h1-11,19H,12H2,(H,20,21)
InChIKeyOZFXQUUXBQVOJI-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.02
Rot. Bonds5

About 4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid

4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid (PubChem CID 67120728) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
PubChem CID67120728
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H15NO4S/c20-18(21)15-10-8-13(9-11-15)12-19-24(22,23)17-7-3-5-14-4-1-2-6-16(14)17/h1-11,19H,12H2,(H,20,21)
InChIKeyOZFXQUUXBQVOJI-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide
CID 3709466
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
CID 19694547
N-benzyl-4-hydroxynaphthalene-1-sulfonamide
CID 57096004
2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
CID 110823533
4-[[[2-(tert-butylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030739
N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide
CID 3854839
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300

Frequently Asked Questions

What is the IUPAC name of 4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid?
The IUPAC name of 4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid (CID 67120728) is 4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid is O=C(O)c1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid?
The InChIKey is OZFXQUUXBQVOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c20-18(21)15-10-8-13(9-11-15)12-19-24(22,23)17-7-3-5-14-4-1-2-6-16(14)17/h1-11,19H,12H2,(H,20,21).
What are the key properties of 4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid?
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid has a molecular weight of 341.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid is sourced from PubChem (CID 67120728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).