O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine

C10H14FNO4S — CID 117412246

IUPACO-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
SMILESCOc1cc(S(C)(=O)=O)c(F)cc1CCON
InChIInChI=1S/C10H14FNO4S/c1-15-9-6-10(17(2,13)14)8(11)5-7(9)3-4-16-12/h5-6H,3-4,12H2,1-2H3
InChIKeyXZAUHVKMPUBCDJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.67
Rot. Bonds5

About O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine

O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine (PubChem CID 117412246) has the molecular formula C10H14FNO4S and a molecular weight of 263.29 g/mol. Its IUPAC name is O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
PubChem CID117412246
Molecular FormulaC10H14FNO4S
Molecular Weight263.29 g/mol
Exact Mass263.06
IUPAC NameO-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
SMILESCOc1cc(S(C)(=O)=O)c(F)cc1CCON
InChIInChI=1S/C10H14FNO4S/c1-15-9-6-10(17(2,13)14)8(11)5-7(9)3-4-16-12/h5-6H,3-4,12H2,1-2H3
InChIKeyXZAUHVKMPUBCDJ-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

O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)acetic acid
CID 117409770
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412248
O-[2-(4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365224
4-(2,5-dimethoxy-4-methylsulfonylphenyl)butan-1-amine
CID 117463945
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365223
1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370203
2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939
3-(4,5-dimethoxy-2-methylsulfonylphenyl)propan-1-amine
CID 117436174
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 117442386
5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461607

Frequently Asked Questions

What is the IUPAC name of O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine (CID 117412246) is O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine is COc1cc(S(C)(=O)=O)c(F)cc1CCON.
What is the InChIKey of O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine?
The InChIKey is XZAUHVKMPUBCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4S/c1-15-9-6-10(17(2,13)14)8(11)5-7(9)3-4-16-12/h5-6H,3-4,12H2,1-2H3.
What are the key properties of O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine?
O-[2-(5-fluoro-2-methoxy-4-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-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117412246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).