(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite

C19H13NO6S — CID 22947318

IUPAC(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite
SMILESCOc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)c2ccccc12
InChIInChI=1S/C19H13NO6S/c1-24-16-10-11-17(13-7-3-2-6-12(13)16)25-27(23)26-20-18(21)14-8-4-5-9-15(14)19(20)22/h2-11H,1H3
InChIKeyMIKPBPLWEWAYIA-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.03
Rot. Bonds5

About (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite

(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite (PubChem CID 22947318) has the molecular formula C19H13NO6S and a molecular weight of 383.38 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite
PubChem CID22947318
Molecular FormulaC19H13NO6S
Molecular Weight383.38 g/mol
Exact Mass383.05
IUPAC Name(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite
SMILESCOc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)c2ccccc12
InChIInChI=1S/C19H13NO6S/c1-24-16-10-11-17(13-7-3-2-6-12(13)16)25-27(23)26-20-18(21)14-8-4-5-9-15(14)19(20)22/h2-11H,1H3
InChIKeyMIKPBPLWEWAYIA-UHFFFAOYSA-N
XLogP3.03
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
2-[(2-bromo-3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione
CID 47061601
2-(5-tert-butyl-2-methoxyphenyl)isoindole-1,3-dione
CID 56954690
6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione
CID 11428149
2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione
CID 15924368
2-(2-hydroxy-4-methoxynaphthalen-1-yl)sulfanylisoindole-1,3-dione
CID 101082616
6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide
CID 4090192
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione
CID 102006402
1-chloro-4-methoxynaphthalene
CID 606038
(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 23966444
2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
CID 5404063

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite?
The IUPAC name of (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite (CID 22947318) is (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite is COc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)c2ccccc12.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite?
The InChIKey is MIKPBPLWEWAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO6S/c1-24-16-10-11-17(13-7-3-2-6-12(13)16)25-27(23)26-20-18(21)14-8-4-5-9-15(14)19(20)22/h2-11H,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite?
(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite has a molecular weight of 383.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite is sourced from PubChem (CID 22947318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).