N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine

C₁₂H₁₄FNO₃S — CID 152543135

About N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine

N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine (PubChem CID 152543135) has the molecular formula C₁₂H₁₄FNO₃S and a molecular weight of 271.31 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine.

Molecular Properties

• Compound Name: N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
• PubChem CID: 152543135
• Molecular Formula: C₁₂H₁₄FNO₃S
• Molecular Weight: 271.31 g/mol
• Exact Mass: 271.07
• IUPAC Name: N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
• SMILES: O=S(=O)(c1ccc(F)cc1)C1CCC(=NO)CC1
• InChI: InChI=1S/C12H14FNO3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-2,5-6,12,15H,3-4,7-8H2/b14-10-
• InChIKey: YLYJBFTYUONAMG-UVTDQMKNSA-N
• XLogP: 2.37
• TPSA: 66.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.31
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine?

The IUPAC name of N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine (CID 152543135) is N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine.

What is the SMILES notation for N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine?

The canonical SMILES for N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine is O=S(=O)(c1ccc(F)cc1)C1CCC(=NO)CC1.

What is the InChIKey of N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine?

The InChIKey is YLYJBFTYUONAMG-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H14FNO3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-2,5-6,12,15H,3-4,7-8H2/b14-10-.

What are the key properties of N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine?

N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine has a molecular weight of 271.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 152543135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152543135 — identifiers, structure, computed properties (public domain)

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