2-(4-methoxyphenyl)iminoethanesulfonyl fluoride

C9H10FNO3S — CID 54377070

IUPAC2-(4-methoxyphenyl)iminoethanesulfonyl fluoride
SMILESCOc1ccc(/N=C/CS(=O)(=O)F)cc1
InChIInChI=1S/C9H10FNO3S/c1-14-9-4-2-8(3-5-9)11-6-7-15(10,12)13/h2-6H,7H2,1H3/b11-6+
InChIKeyUXGPMYBVBMHYHX-IZZDOVSWSA-N
MW231.25 g/mol
LogP1.70
Rot. Bonds4

About 2-(4-methoxyphenyl)iminoethanesulfonyl fluoride

2-(4-methoxyphenyl)iminoethanesulfonyl fluoride (PubChem CID 54377070) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)iminoethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)iminoethanesulfonyl fluoride
PubChem CID54377070
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC Name2-(4-methoxyphenyl)iminoethanesulfonyl fluoride
SMILESCOc1ccc(/N=C/CS(=O)(=O)F)cc1
InChIInChI=1S/C9H10FNO3S/c1-14-9-4-2-8(3-5-9)11-6-7-15(10,12)13/h2-6H,7H2,1H3/b11-6+
InChIKeyUXGPMYBVBMHYHX-IZZDOVSWSA-N
XLogP1.70
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)iminoethanesulfonyl fluoride
CID 54176539
N-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)iminoethyl]-2-pyridinyl]ethanimine
CID 102586041
4-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoic acid
CID 7584169
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
2-(4-methoxyphenyl)iminoacetate
CID 22600240
4-[(4-methoxyphenyl)iminomethyl]-1,2-dihydropyrazol-3-one
CID 4295451
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626
2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
CID 584090
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine
CID 14465614

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)iminoethanesulfonyl fluoride?
The IUPAC name of 2-(4-methoxyphenyl)iminoethanesulfonyl fluoride (CID 54377070) is 2-(4-methoxyphenyl)iminoethanesulfonyl fluoride.
What is the SMILES notation for 2-(4-methoxyphenyl)iminoethanesulfonyl fluoride?
The canonical SMILES for 2-(4-methoxyphenyl)iminoethanesulfonyl fluoride is COc1ccc(/N=C/CS(=O)(=O)F)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)iminoethanesulfonyl fluoride?
The InChIKey is UXGPMYBVBMHYHX-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H10FNO3S/c1-14-9-4-2-8(3-5-9)11-6-7-15(10,12)13/h2-6H,7H2,1H3/b11-6+.
What are the key properties of 2-(4-methoxyphenyl)iminoethanesulfonyl fluoride?
2-(4-methoxyphenyl)iminoethanesulfonyl fluoride has a molecular weight of 231.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)iminoethanesulfonyl fluoride is sourced from PubChem (CID 54377070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).