(NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine

C8H8FNO3S — CID 71615683

IUPAC(NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine
SMILESCS(=O)(=O)c1cc(/C=N/O)ccc1F
InChIInChI=1S/C8H8FNO3S/c1-14(12,13)8-4-6(5-10-11)2-3-7(8)9/h2-5,11H,1H3/b10-5+
InChIKeyHDBNWTSYDZYYKJ-BJMVGYQFSA-N
MW217.22 g/mol
LogP1.04
Rot. Bonds2

About (NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine

(NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine (PubChem CID 71615683) has the molecular formula C8H8FNO3S and a molecular weight of 217.22 g/mol. Its IUPAC name is (NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine
PubChem CID71615683
Molecular FormulaC8H8FNO3S
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name(NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine
SMILESCS(=O)(=O)c1cc(/C=N/O)ccc1F
InChIInChI=1S/C8H8FNO3S/c1-14(12,13)8-4-6(5-10-11)2-3-7(8)9/h2-5,11H,1H3/b10-5+
InChIKeyHDBNWTSYDZYYKJ-BJMVGYQFSA-N
XLogP1.04
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[2-fluoro-5-(hydroxyiminomethyl)phenyl]methyl]carbamic acid
CID 173073053
4-fluoro-N-methylidene-3-methylsulfonylbenzamide
CID 151247132
(4-fluoro-3-methylsulfonylphenyl)boronic acid
CID 121229084
(NZ)-N-[(3-fluoro-4-iodophenyl)methylidene]hydroxylamine
CID 87871003
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine
CID 168591730
3-fluoro-4-methylsulfonylbenzaldehyde
CID 21251732
N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826188
1-fluoro-4-methoxy-2-methylsulfonylbenzene
CID 69311916
2-bromo-2-(4-fluoro-3-methylsulfonylphenyl)propanal
CID 174317958
[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]urea
CID 168533556
1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine
CID 117360007

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine (CID 71615683) is (NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine is CS(=O)(=O)c1cc(/C=N/O)ccc1F.
What is the InChIKey of (NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine?
The InChIKey is HDBNWTSYDZYYKJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H8FNO3S/c1-14(12,13)8-4-6(5-10-11)2-3-7(8)9/h2-5,11H,1H3/b10-5+.
What are the key properties of (NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine?
(NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine has a molecular weight of 217.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 71615683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).