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

C16H15BrN2O2S — CID 5432349

IUPAC4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C1/CCCc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2S/c17-13-8-10-14(11-9-13)22(20,21)19-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,19H,3,5,7H2/b18-16-
InChIKeyYYSQNBQAJUVZLO-VLGSPTGOSA-N
MW379.28 g/mol
LogP3.47
Rot. Bonds3

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

4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide (PubChem CID 5432349) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
PubChem CID5432349
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C1/CCCc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2S/c17-13-8-10-14(11-9-13)22(20,21)19-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,19H,3,5,7H2/b18-16-
InChIKeyYYSQNBQAJUVZLO-VLGSPTGOSA-N
XLogP3.47
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.47
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 4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide (CID 5432349) is 4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide is O=S(=O)(N/N=C1/CCCc2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide?
The InChIKey is YYSQNBQAJUVZLO-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c17-13-8-10-14(11-9-13)22(20,21)19-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,19H,3,5,7H2/b18-16-.
What are the key properties of 4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide?
4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide has a molecular weight of 379.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide is sourced from PubChem (CID 5432349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).