1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene

C17H15NO4S — CID 59897977

IUPAC1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene
SMILESCOOS(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C17H15NO4S/c1-20-22-23(19)18-14-9-11-15(12-10-14)21-17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18H,1H3
InChIKeyORHZACADCORLLG-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.20
Rot. Bonds6

About 1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene

1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene (PubChem CID 59897977) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene.

Molecular Properties

Compound Name1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene
PubChem CID59897977
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene
SMILESCOOS(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C17H15NO4S/c1-20-22-23(19)18-14-9-11-15(12-10-14)21-17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18H,1H3
InChIKeyORHZACADCORLLG-UHFFFAOYSA-N
XLogP4.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(methoxysulfinylamino)phenoxy]naphthalene;methyl 4-naphthalen-1-yloxybenzenesulfinate;1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene;(4-naphthalen-1-yloxyphenyl)sulfinamoyl hypochlorite
CID 90846178
4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline
CID 59962132
4-naphthalen-1-yloxybenzaldehyde
CID 19069208
2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
CID 1216754
N-[4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 58834881
4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide
CID 58834878
2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
CID 23455386
1-[4-(butoxysulfinylamino)-2-[(dimethylamino)methyl]phenoxy]naphthalene
CID 59897910
1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene
CID 59962160
4-naphthalen-1-yloxybenzoyl fluoride
CID 54185707
2-naphthalen-2-yl-6-(4-naphthalen-1-yloxyphenyl)naphthalene
CID 71004721
4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid
CID 58834889

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene?
The IUPAC name of 1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene (CID 59897977) is 1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene.
What is the SMILES notation for 1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene?
The canonical SMILES for 1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene is COOS(=O)Nc1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene?
The InChIKey is ORHZACADCORLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-20-22-23(19)18-14-9-11-15(12-10-14)21-17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18H,1H3.
What are the key properties of 1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene?
1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene has a molecular weight of 329.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene is sourced from PubChem (CID 59897977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).