imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane

C17H15NO2S — CID 155936163

IUPACimino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1ccc(OC)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H15NO2S/c1-20-15-7-10-16(11-8-15)21(18,19)17-9-6-13-4-2-3-5-14(13)12-17/h2-12,18H,1H3
InChIKeyIINQHWAVTZHZKP-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.31
Rot. Bonds3

About imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane

imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane (PubChem CID 155936163) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane
PubChem CID155936163
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Nameimino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1ccc(OC)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H15NO2S/c1-20-15-7-10-16(11-8-15)21(18,19)17-9-6-13-4-2-3-5-14(13)12-17/h2-12,18H,1H3
InChIKeyIINQHWAVTZHZKP-UHFFFAOYSA-N
XLogP4.31
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane?
The IUPAC name of imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane (CID 155936163) is imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane.
What is the SMILES notation for imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane?
The canonical SMILES for imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane is [H]N=S(=O)(c1ccc(OC)cc1)c1ccc2ccccc2c1.
What is the InChIKey of imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane?
The InChIKey is IINQHWAVTZHZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-20-15-7-10-16(11-8-15)21(18,19)17-9-6-13-4-2-3-5-14(13)12-17/h2-12,18H,1H3.
What are the key properties of imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane?
imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane has a molecular weight of 297.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-λ6-sulfane is sourced from PubChem (CID 155936163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).