(4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane

C9H11BrFNOS — CID 125450647

IUPAC(4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
SMILESCC[S@@](C)(=O)=Nc1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNOS/c1-3-14(2,13)12-9-5-4-7(10)6-8(9)11/h4-6H,3H2,1-2H3/t14-/m1/s1
InChIKeyODSRTNZJRUSNBS-CQSZACIVSA-N
MW280.16 g/mol
LogP3.34
Rot. Bonds2

About (4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane

(4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane (PubChem CID 125450647) has the molecular formula C9H11BrFNOS and a molecular weight of 280.16 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
PubChem CID125450647
Molecular FormulaC9H11BrFNOS
Molecular Weight280.16 g/mol
Exact Mass278.97
IUPAC Name(4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
SMILESCC[S@@](C)(=O)=Nc1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNOS/c1-3-14(2,13)12-9-5-4-7(10)6-8(9)11/h4-6H,3H2,1-2H3/t14-/m1/s1
InChIKeyODSRTNZJRUSNBS-CQSZACIVSA-N
XLogP3.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2-fluorophenyl)imino-ethyl-methyl-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

(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
CID 125449498
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
1-(4-bromo-2-fluorophenyl)-3-methylsulfonylpropan-1-amine
CID 114905996
4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
4-bromo-2-fluoro-1-isothiocyanatobenzene
CID 2757003
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)aniline
CID 60916324
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-1-fluoro-2-(3-methylsulfonylpropoxy)benzene
CID 115918306
4-bromo-2-fluoro-N,N-di(propan-2-yl)benzenesulfonamide
CID 97455770
4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene
CID 136560911
4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 116528424

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane?
The IUPAC name of (4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane (CID 125450647) is (4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane?
The canonical SMILES for (4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane is CC[S@@](C)(=O)=Nc1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane?
The InChIKey is ODSRTNZJRUSNBS-CQSZACIVSA-N. The full InChI is InChI=1S/C9H11BrFNOS/c1-3-14(2,13)12-9-5-4-7(10)6-8(9)11/h4-6H,3H2,1-2H3/t14-/m1/s1.
What are the key properties of (4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane?
(4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane has a molecular weight of 280.16 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 125450647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).