N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine

C8H9F2NO3S — CID 117346067

IUPACN-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCS(=O)(=O)c1cc(F)c(CNO)cc1F
InChIInChI=1S/C8H9F2NO3S/c1-15(13,14)8-3-6(9)5(4-11-12)2-7(8)10/h2-3,11-12H,4H2,1H3
InChIKeyQTEOIKQVUHZIBE-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.85
Rot. Bonds3

About N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine

N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine (PubChem CID 117346067) has the molecular formula C8H9F2NO3S and a molecular weight of 237.23 g/mol. Its IUPAC name is N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
PubChem CID117346067
Molecular FormulaC8H9F2NO3S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC NameN-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCS(=O)(=O)c1cc(F)c(CNO)cc1F
InChIInChI=1S/C8H9F2NO3S/c1-15(13,14)8-3-6(9)5(4-11-12)2-7(8)10/h2-3,11-12H,4H2,1H3
InChIKeyQTEOIKQVUHZIBE-UHFFFAOYSA-N
XLogP0.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939
1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine
CID 117412591
1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409978
4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol
CID 117340042
N-[(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)methyl]hydroxylamine
CID 117417303
N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281709
N-[(4,5-dimethoxy-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407160
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)acetic acid
CID 117409770
N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117365232
N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407158
N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
CID 84765584
4-fluoro-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117435690

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine (CID 117346067) is N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine is CS(=O)(=O)c1cc(F)c(CNO)cc1F.
What is the InChIKey of N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine?
The InChIKey is QTEOIKQVUHZIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3S/c1-15(13,14)8-3-6(9)5(4-11-12)2-7(8)10/h2-3,11-12H,4H2,1H3.
What are the key properties of N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine?
N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine has a molecular weight of 237.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117346067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).