O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine

C10H14FNO4S — CID 117412248

IUPACO-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(CCON)c(F)c1S(C)(=O)=O
InChIInChI=1S/C10H14FNO4S/c1-15-8-4-3-7(5-6-16-12)9(11)10(8)17(2,13)14/h3-4H,5-6,12H2,1-2H3
InChIKeyYXLRGAKNKYEIBR-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.67
Rot. Bonds5

About O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine

O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine (PubChem CID 117412248) has the molecular formula C10H14FNO4S and a molecular weight of 263.29 g/mol. Its IUPAC name is O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
PubChem CID117412248
Molecular FormulaC10H14FNO4S
Molecular Weight263.29 g/mol
Exact Mass263.06
IUPAC NameO-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(CCON)c(F)c1S(C)(=O)=O
InChIInChI=1S/C10H14FNO4S/c1-15-8-4-3-7(5-6-16-12)9(11)10(8)17(2,13)14/h3-4H,5-6,12H2,1-2H3
InChIKeyYXLRGAKNKYEIBR-UHFFFAOYSA-N
XLogP0.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.67
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

2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine
CID 117407280
4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)butanoic acid
CID 117468920
4-[(2-fluoro-4-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485597
O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412246
3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117468915
O-[2-(4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365224
2-(3-methoxy-2-methylsulfonylphenyl)ethanamine
CID 117330971
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
ethyl 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-2-oxoacetate
CID 117489496
O-[2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355227
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365223

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine (CID 117412248) is O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine is COc1ccc(CCON)c(F)c1S(C)(=O)=O.
What is the InChIKey of O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine?
The InChIKey is YXLRGAKNKYEIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4S/c1-15-8-4-3-7(5-6-16-12)9(11)10(8)17(2,13)14/h3-4H,5-6,12H2,1-2H3.
What are the key properties of O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine?
O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine has a molecular weight of 263.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117412248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).