N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide

C16H16N2O2S — CID 6176442

IUPACN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C1\CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-21(20,14-9-2-1-3-10-14)18-17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11,18H,6,8,12H2/b17-16+
InChIKeyABLGFNYYYZXEBT-WUKNDPDISA-N
MW300.38 g/mol
LogP2.71
Rot. Bonds3

About N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide

N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide (PubChem CID 6176442) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
PubChem CID6176442
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C1\CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-21(20,14-9-2-1-3-10-14)18-17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11,18H,6,8,12H2/b17-16+
InChIKeyABLGFNYYYZXEBT-WUKNDPDISA-N
XLogP2.71
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.71
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)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide (CID 6176442) is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide is O=S(=O)(N/N=C1\CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide?
The InChIKey is ABLGFNYYYZXEBT-WUKNDPDISA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-21(20,14-9-2-1-3-10-14)18-17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11,18H,6,8,12H2/b17-16+.
What are the key properties of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide?
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide is sourced from PubChem (CID 6176442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).