N-(2-fluoro-5-methylphenyl)ethanesulfinamide

C9H12FNOS — CID 130992623

IUPACN-(2-fluoro-5-methylphenyl)ethanesulfinamide
SMILESCCS(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C9H12FNOS/c1-3-13(12)11-9-6-7(2)4-5-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyIIIRUSTWBJDERW-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.23
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)ethanesulfinamide

N-(2-fluoro-5-methylphenyl)ethanesulfinamide (PubChem CID 130992623) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)ethanesulfinamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)ethanesulfinamide
PubChem CID130992623
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC NameN-(2-fluoro-5-methylphenyl)ethanesulfinamide
SMILESCCS(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C9H12FNOS/c1-3-13(12)11-9-6-7(2)4-5-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyIIIRUSTWBJDERW-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-fluoro-5-methylphenyl)ethanesulfinamide 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

N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
(2-fluoro-5-methylphenyl)hydrazine;formaldehyde
CID 143073558
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
N-butyl-2-fluoro-5-methylaniline
CID 28877664
2-fluoro-5-methyl-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]aniline
CID 97249625
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
1-(2-fluoro-5-methylanilino)butan-2-ol
CID 60887090
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
N-(3,3-dimethylbutyl)-2-fluoro-5-methylaniline
CID 60679773

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)ethanesulfinamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)ethanesulfinamide (CID 130992623) is N-(2-fluoro-5-methylphenyl)ethanesulfinamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)ethanesulfinamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)ethanesulfinamide is CCS(=O)Nc1cc(C)ccc1F.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)ethanesulfinamide?
The InChIKey is IIIRUSTWBJDERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-3-13(12)11-9-6-7(2)4-5-8(9)10/h4-6,11H,3H2,1-2H3.
What are the key properties of N-(2-fluoro-5-methylphenyl)ethanesulfinamide?
N-(2-fluoro-5-methylphenyl)ethanesulfinamide has a molecular weight of 201.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)ethanesulfinamide is sourced from PubChem (CID 130992623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).