(NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine

C12H14FNO3S — CID 118209396

IUPAC(NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
SMILESO=S(=O)(c1ccc(F)cc1)C1CCCC/C1=N\O
InChIInChI=1S/C12H14FNO3S/c13-9-5-7-10(8-6-9)18(16,17)12-4-2-1-3-11(12)14-15/h5-8,12,15H,1-4H2/b14-11+
InChIKeyHJFPTTUWFVKJRW-SDNWHVSQSA-N
MW271.31 g/mol
LogP2.37
Rot. Bonds2

About (NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine

(NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine (PubChem CID 118209396) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is (NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
PubChem CID118209396
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name(NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine
SMILESO=S(=O)(c1ccc(F)cc1)C1CCCC/C1=N\O
InChIInChI=1S/C12H14FNO3S/c13-9-5-7-10(8-6-9)18(16,17)12-4-2-1-3-11(12)14-15/h5-8,12,15H,1-4H2/b14-11+
InChIKeyHJFPTTUWFVKJRW-SDNWHVSQSA-N
XLogP2.37
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine (CID 118209396) is (NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine is O=S(=O)(c1ccc(F)cc1)C1CCCC/C1=N\O.
What is the InChIKey of (NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine?
The InChIKey is HJFPTTUWFVKJRW-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H14FNO3S/c13-9-5-7-10(8-6-9)18(16,17)12-4-2-1-3-11(12)14-15/h5-8,12,15H,1-4H2/b14-11+.
What are the key properties of (NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine?
(NE)-N-[2-(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 (NE)-N-[2-(4-fluorophenyl)sulfonylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 118209396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).