1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene

C17H15NO3S — CID 20665645

IUPAC1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene
SMILESCc1ccc(OS(=O)Nc2ccc3ccccc3c2O)cc1
InChIInChI=1S/C17H15NO3S/c1-12-6-9-14(10-7-12)21-22(20)18-16-11-8-13-4-2-3-5-15(13)17(16)19/h2-11,18-19H,1H3
InChIKeyFVIOMGDSQNQELR-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.92
Rot. Bonds4

About 1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene

1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene (PubChem CID 20665645) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene.

Molecular Properties

Compound Name1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene
PubChem CID20665645
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene
SMILESCc1ccc(OS(=O)Nc2ccc3ccccc3c2O)cc1
InChIInChI=1S/C17H15NO3S/c1-12-6-9-14(10-7-12)21-22(20)18-16-11-8-13-4-2-3-5-15(13)17(16)19/h2-11,18-19H,1H3
InChIKeyFVIOMGDSQNQELR-UHFFFAOYSA-N
XLogP3.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-4-methyl-N-[4-(3-methylphenoxy)butyl]naphthalene-2-sulfonamide;1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene;2-methylnaphthalen-1-ol
CID 91535319
2-(tert-butylamino)naphthalen-1-ol
CID 70427570
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
N-(2-hydroxy-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 2688141
2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol
CID 39345482
chrysen-1-yl (4-methylphenyl) carbonate
CID 175198162
N-[(1-hydroxynaphthalen-2-yl)carbamothioyl]-3,5-dimethylbenzamide
CID 90205096
phenanthrene;toluene
CID 158347700
2-[(4-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953527
(2-hydroxynaphthalen-1-yl) hydrogen sulfite
CID 57100995
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 2558660
2-(4-methylphenoxy)sulfinyloxybenzoic acid
CID 21129087

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene?
The IUPAC name of 1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene (CID 20665645) is 1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene.
What is the SMILES notation for 1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene?
The canonical SMILES for 1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene is Cc1ccc(OS(=O)Nc2ccc3ccccc3c2O)cc1.
What is the InChIKey of 1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene?
The InChIKey is FVIOMGDSQNQELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-12-6-9-14(10-7-12)21-22(20)18-16-11-8-13-4-2-3-5-15(13)17(16)19/h2-11,18-19H,1H3.
What are the key properties of 1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene?
1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene has a molecular weight of 313.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene is sourced from PubChem (CID 20665645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).