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

C18H13NO4S — CID 9036040

IUPAC1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C18H13NO4S/c20-19(21)16-8-10-17(11-9-16)24(22,23)13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-13H/b13-12+
InChIKeyVXGJSZAAIIIGQN-OUKQBFOZSA-N
MW339.37 g/mol
LogP4.19
Rot. Bonds4

About 1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene

1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene (PubChem CID 9036040) has the molecular formula C18H13NO4S and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
PubChem CID9036040
Molecular FormulaC18H13NO4S
Molecular Weight339.37 g/mol
Exact Mass339.06
IUPAC Name1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C18H13NO4S/c20-19(21)16-8-10-17(11-9-16)24(22,23)13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-13H/b13-12+
InChIKeyVXGJSZAAIIIGQN-OUKQBFOZSA-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-ethoxy-2-methoxy-3-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036231
1-methoxy-2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036138
2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
CID 9036194
1,2,3-trimethoxy-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036121
1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036054
2-[(E)-2-naphthalen-1-ylethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 5366941
2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole
CID 8832196
1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]-4-(trifluoromethyl)benzene
CID 9036037
1-(4-nitrophenyl)sulfonylisoquinoline
CID 154248307
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
N-(1-naphthalen-1-ylethyl)-4-nitrobenzenesulfonamide
CID 55353964
N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide
CID 5191128

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene?
The IUPAC name of 1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene (CID 9036040) is 1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene.
What is the SMILES notation for 1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene?
The canonical SMILES for 1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene is O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2cccc3ccccc23)cc1.
What is the InChIKey of 1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene?
The InChIKey is VXGJSZAAIIIGQN-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H13NO4S/c20-19(21)16-8-10-17(11-9-16)24(22,23)13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-13H/b13-12+.
What are the key properties of 1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene?
1-[(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 1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene is sourced from PubChem (CID 9036040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).