1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene

C16H11Cl2NO3S — CID 18684374

IUPAC1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene
SMILESO=S(Nc1cc(Cl)c(O)c(Cl)c1)Oc1cccc2ccccc12
InChIInChI=1S/C16H11Cl2NO3S/c17-13-8-11(9-14(18)16(13)20)19-23(21)22-15-7-3-5-10-4-1-2-6-12(10)15/h1-9,19-20H
InChIKeyHBMLMZJRUMNAQS-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.92
Rot. Bonds4

About 1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene

1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene (PubChem CID 18684374) has the molecular formula C16H11Cl2NO3S and a molecular weight of 368.24 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene.

Molecular Properties

Compound Name1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene
PubChem CID18684374
Molecular FormulaC16H11Cl2NO3S
Molecular Weight368.24 g/mol
Exact Mass366.98
IUPAC Name1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene
SMILESO=S(Nc1cc(Cl)c(O)c(Cl)c1)Oc1cccc2ccccc12
InChIInChI=1S/C16H11Cl2NO3S/c17-13-8-11(9-14(18)16(13)20)19-23(21)22-15-7-3-5-10-4-1-2-6-12(10)15/h1-9,19-20H
InChIKeyHBMLMZJRUMNAQS-UHFFFAOYSA-N
XLogP4.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

magnesium;hydride;naphthalen-1-yl sulfite
CID 174653300
1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene
CID 59897977
bis(2-chloronaphthalen-1-yl) carbonate;dinaphthalen-1-yl carbonate
CID 70561468
CID 175294092
CID 175294092
2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol
CID 21256239
1-hydroxy-2-[(4-methylphenoxy)sulfinylamino]naphthalene
CID 20665645
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
2-chloro-4,6-dimethylphenol;1-chloro-5-[(4-dodecoxyphenoxy)sulfinylamino]-2-hydroxy-3-methylbenzene
CID 91080441
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
1-chloro-2-hydroxy-4,5-dimethoxy-3-[(2-methoxy-4-methylphenoxy)sulfinylamino]benzene
CID 20665642
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722
1-[4-(butoxysulfinylamino)-2-[(dimethylamino)methyl]phenoxy]naphthalene
CID 59897910

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene?
The IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene (CID 18684374) is 1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene.
What is the SMILES notation for 1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene?
The canonical SMILES for 1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene is O=S(Nc1cc(Cl)c(O)c(Cl)c1)Oc1cccc2ccccc12.
What is the InChIKey of 1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene?
The InChIKey is HBMLMZJRUMNAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3S/c17-13-8-11(9-14(18)16(13)20)19-23(21)22-15-7-3-5-10-4-1-2-6-12(10)15/h1-9,19-20H.
What are the key properties of 1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene?
1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene has a molecular weight of 368.24 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-hydroxyphenyl)sulfinamoyloxynaphthalene is sourced from PubChem (CID 18684374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).