ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane

C9H12FNOS — CID 135226970

IUPACethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)c1ccc(F)c(C)c1
InChIInChI=1S/C9H12FNOS/c1-3-13(11,12)8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3
InChIKeyJNGDVYUCVRFXJZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.56
Rot. Bonds2

About ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane

ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane (PubChem CID 135226970) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane
PubChem CID135226970
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Nameethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)c1ccc(F)c(C)c1
InChIInChI=1S/C9H12FNOS/c1-3-13(11,12)8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3
InChIKeyJNGDVYUCVRFXJZ-UHFFFAOYSA-N
XLogP2.56
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluoro-3-methylphenyl)sulfonylmethanol
CID 117036683
N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine
CID 117036346
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
4-fluoro-3-methyl-N-(oxomethylidene)benzenesulfonamide
CID 82078542
4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide
CID 133189853
5,11-bis[(4-fluoro-3-methylphenyl)sulfonyl]benzo[c][1,5]benzodiazocine-6,12-dione
CID 2353856
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 142670856
methyl 2-(4-fluoro-3-methylphenyl)sulfonylhexanoate
CID 59775209
4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 2147929

Frequently Asked Questions

What is the IUPAC name of ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane?
The IUPAC name of ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane (CID 135226970) is ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane?
The canonical SMILES for ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane is [H]N=S(=O)(CC)c1ccc(F)c(C)c1.
What is the InChIKey of ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane?
The InChIKey is JNGDVYUCVRFXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-3-13(11,12)8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3.
What are the key properties of ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane?
ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane has a molecular weight of 201.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane is sourced from PubChem (CID 135226970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).