N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine

C9H12FNO3S2 — CID 117417303

IUPACN-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCSc1c(F)cc(CNO)cc1S(C)(=O)=O
InChIInChI=1S/C9H12FNO3S2/c1-15-9-7(10)3-6(5-11-12)4-8(9)16(2,13)14/h3-4,11-12H,5H2,1-2H3
InChIKeyOHLGCJVKFOJQFX-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.43
Rot. Bonds4

About N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine

N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine (PubChem CID 117417303) has the molecular formula C9H12FNO3S2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine
PubChem CID117417303
Molecular FormulaC9H12FNO3S2
Molecular Weight265.33 g/mol
Exact Mass265.02
IUPAC NameN-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCSc1c(F)cc(CNO)cc1S(C)(=O)=O
InChIInChI=1S/C9H12FNO3S2/c1-15-9-7(10)3-6(5-11-12)4-8(9)16(2,13)14/h3-4,11-12H,5H2,1-2H3
InChIKeyOHLGCJVKFOJQFX-UHFFFAOYSA-N
XLogP1.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine (CID 117417303) is N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine is CSc1c(F)cc(CNO)cc1S(C)(=O)=O.
What is the InChIKey of N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine?
The InChIKey is OHLGCJVKFOJQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S2/c1-15-9-7(10)3-6(5-11-12)4-8(9)16(2,13)14/h3-4,11-12H,5H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine?
N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine has a molecular weight of 265.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117417303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).