2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene

C18H13NO4S — CID 9036194

IUPAC2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H13NO4S/c20-19(21)17-7-9-18(10-8-17)24(22,23)12-11-14-5-6-15-3-1-2-4-16(15)13-14/h1-13H/b12-11+
InChIKeyNJNPATKZPGOVOA-VAWYXSNFSA-N
MW339.37 g/mol
LogP4.19
Rot. Bonds4

About 2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene

2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene (PubChem CID 9036194) has the molecular formula C18H13NO4S and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
PubChem CID9036194
Molecular FormulaC18H13NO4S
Molecular Weight339.37 g/mol
Exact Mass339.06
IUPAC Name2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H13NO4S/c20-19(21)17-7-9-18(10-8-17)24(22,23)12-11-14-5-6-15-3-1-2-4-16(15)13-14/h1-13H/b12-11+
InChIKeyNJNPATKZPGOVOA-VAWYXSNFSA-N
XLogP4.19
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036054
1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
CID 9036040
1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]-4-(trifluoromethyl)benzene
CID 9036037
2-(2,4-dinitrophenyl)sulfonylnaphthalene
CID 3090496
N-(naphthalen-2-ylmethylideneamino)-4-nitroaniline
CID 4505951
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
1-methoxy-2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036138
1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 71325793
1-(difluoromethoxy)-2-ethoxy-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036294
(E)-2-methyl-1-naphthalen-2-yl-3-(4-nitrophenyl)prop-2-en-1-one
CID 46867974
1-nitro-4-[2-[2-(4-nitrophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]benzene
CID 72826289
2-(4-nitrophenyl)sulfanylnaphthalene
CID 18971685

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene?
The IUPAC name of 2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene (CID 9036194) is 2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene?
The canonical SMILES for 2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene is O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene?
The InChIKey is NJNPATKZPGOVOA-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H13NO4S/c20-19(21)17-7-9-18(10-8-17)24(22,23)12-11-14-5-6-15-3-1-2-4-16(15)13-14/h1-13H/b12-11+.
What are the key properties of 2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene?
2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene has a molecular weight of 339.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene is sourced from PubChem (CID 9036194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).