2-(4-nitrophenyl)sulfanylnaphthalene

C16H11NO2S — CID 18971685

IUPAC2-(4-nitrophenyl)sulfanylnaphthalene
SMILESO=[N+]([O-])c1ccc(Sc2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H11NO2S/c18-17(19)14-6-9-15(10-7-14)20-16-8-5-12-3-1-2-4-13(12)11-16/h1-11H
InChIKeyIVFDDGLNERYUNO-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.90
Rot. Bonds3

About 2-(4-nitrophenyl)sulfanylnaphthalene

2-(4-nitrophenyl)sulfanylnaphthalene (PubChem CID 18971685) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(4-nitrophenyl)sulfanylnaphthalene.

Molecular Properties

Compound Name2-(4-nitrophenyl)sulfanylnaphthalene
PubChem CID18971685
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name2-(4-nitrophenyl)sulfanylnaphthalene
SMILESO=[N+]([O-])c1ccc(Sc2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H11NO2S/c18-17(19)14-6-9-15(10-7-14)20-16-8-5-12-3-1-2-4-13(12)11-16/h1-11H
InChIKeyIVFDDGLNERYUNO-UHFFFAOYSA-N
XLogP4.90
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
2-(2-methyl-4-nitrophenyl)sulfanylnaphthalene
CID 143108301
2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine
CID 10883644
1-[4-(4-bromophenyl)sulfanylphenyl]sulfanyl-4-nitrobenzene
CID 11774413
1-(1-naphthalen-2-ylpyrrol-2-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]methanimine
CID 21374665
1,2-diethyl-4-(4-nitrophenyl)sulfanylbenzene
CID 91879901
1-nitro-4-[4-[4-(4-nitrophenyl)sulfanylphenyl]sulfonylphenyl]sulfanylbenzene
CID 71326517
naphthalen-2-ol;nitrobenzene
CID 163774452
2-methyl-4-(4-nitrophenyl)sulfanylphenol
CID 91879495
naphthalen-2-ol;4-nitroaniline
CID 160761253
2-chloro-4-(4-nitrophenyl)sulfanylbenzonitrile
CID 62948505
N-[4-(4-nitrophenyl)sulfanylphenyl]-1-benzofuran-2-carboxamide
CID 17296716

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)sulfanylnaphthalene?
The IUPAC name of 2-(4-nitrophenyl)sulfanylnaphthalene (CID 18971685) is 2-(4-nitrophenyl)sulfanylnaphthalene.
What is the SMILES notation for 2-(4-nitrophenyl)sulfanylnaphthalene?
The canonical SMILES for 2-(4-nitrophenyl)sulfanylnaphthalene is O=[N+]([O-])c1ccc(Sc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)sulfanylnaphthalene?
The InChIKey is IVFDDGLNERYUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-17(19)14-6-9-15(10-7-14)20-16-8-5-12-3-1-2-4-13(12)11-16/h1-11H.
What are the key properties of 2-(4-nitrophenyl)sulfanylnaphthalene?
2-(4-nitrophenyl)sulfanylnaphthalene has a molecular weight of 281.34 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)sulfanylnaphthalene is sourced from PubChem (CID 18971685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).