N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine

C10H12FNO3S — CID 131849841

IUPACN-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine
SMILESCC(C(=NO)c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C10H12FNO3S/c1-7(16(2,14)15)10(12-13)8-5-3-4-6-9(8)11/h3-7,13H,1-2H3
InChIKeyIHFLLKQPBREWMW-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.44
Rot. Bonds3

About N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine

N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine (PubChem CID 131849841) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine
PubChem CID131849841
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC NameN-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine
SMILESCC(C(=NO)c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C10H12FNO3S/c1-7(16(2,14)15)10(12-13)8-5-3-4-6-9(8)11/h3-7,13H,1-2H3
InChIKeyIHFLLKQPBREWMW-UHFFFAOYSA-N
XLogP1.44
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.44
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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Related Compounds

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2-fluoro-N-[(1R)-1-phenylethyl]benzamide
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CID 81462850

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine?
The IUPAC name of N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine (CID 131849841) is N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine is CC(C(=NO)c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine?
The InChIKey is IHFLLKQPBREWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-7(16(2,14)15)10(12-13)8-5-3-4-6-9(8)11/h3-7,13H,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine?
N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine has a molecular weight of 245.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine is sourced from PubChem (CID 131849841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).