O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine

C9H12FNO4S — CID 117375508

IUPACO-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CON)cc(F)c1S(C)(=O)=O
InChIInChI=1S/C9H12FNO4S/c1-14-8-4-6(5-15-11)3-7(10)9(8)16(2,12)13/h3-4H,5,11H2,1-2H3
InChIKeyIKISNJKSTWMMCV-UHFFFAOYSA-N
MW249.26 g/mol
LogP0.63
Rot. Bonds4

About O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine

O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine (PubChem CID 117375508) has the molecular formula C9H12FNO4S and a molecular weight of 249.26 g/mol. Its IUPAC name is O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine
PubChem CID117375508
Molecular FormulaC9H12FNO4S
Molecular Weight249.26 g/mol
Exact Mass249.05
IUPAC NameO-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CON)cc(F)c1S(C)(=O)=O
InChIInChI=1S/C9H12FNO4S/c1-14-8-4-6(5-15-11)3-7(10)9(8)16(2,12)13/h3-4H,5,11H2,1-2H3
InChIKeyIKISNJKSTWMMCV-UHFFFAOYSA-N
XLogP0.63
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine
CID 117407303
(3,4-difluoro-5-methoxyphenyl)methyl methanesulfonate
CID 118962022
2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341937
O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117280138
3,5-dimethoxy-4-methylsulfonylaniline
CID 84794352
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117439986
O-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288478
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117445755
O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412246
O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412248
2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84800596

Frequently Asked Questions

What is the IUPAC name of O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine (CID 117375508) is O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine is COc1cc(CON)cc(F)c1S(C)(=O)=O.
What is the InChIKey of O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine?
The InChIKey is IKISNJKSTWMMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO4S/c1-14-8-4-6(5-15-11)3-7(10)9(8)16(2,12)13/h3-4H,5,11H2,1-2H3.
What are the key properties of O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine?
O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine has a molecular weight of 249.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117375508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).