N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide

C19H16N2O2S — CID 170554185

IUPACN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide
SMILESO=S(=O)(N/N=C/C=C/c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O2S/c22-24(23,19-13-12-17-10-4-5-11-18(17)15-19)21-20-14-6-9-16-7-2-1-3-8-16/h1-15,21H/b9-6+,20-14+
InChIKeyJBXQJPWRFDVPLI-KEAYEENMSA-N
MW336.42 g/mol
LogP3.82
Rot. Bonds5

About N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide (PubChem CID 170554185) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide
PubChem CID170554185
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide
SMILESO=S(=O)(N/N=C/C=C/c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O2S/c22-24(23,19-13-12-17-10-4-5-11-18(17)15-19)21-20-14-6-9-16-7-2-1-3-8-16/h1-15,21H/b9-6+,20-14+
InChIKeyJBXQJPWRFDVPLI-KEAYEENMSA-N
XLogP3.82
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide?
The IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide (CID 170554185) is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide is O=S(=O)(N/N=C/C=C/c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide?
The InChIKey is JBXQJPWRFDVPLI-KEAYEENMSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-24(23,19-13-12-17-10-4-5-11-18(17)15-19)21-20-14-6-9-16-7-2-1-3-8-16/h1-15,21H/b9-6+,20-14+.
What are the key properties of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide?
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide is sourced from PubChem (CID 170554185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).