N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine

C10H12ClF2NO2S — CID 83170213

IUPACN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCC(F)F
InChIInChI=1S/C10H12ClF2NO2S/c1-17(15,16)9-4-2-3-8(11)7(9)5-14-6-10(12)13/h2-4,10,14H,5-6H2,1H3
InChIKeyVIHIPUMMTBQIHN-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.10
Rot. Bonds5

About N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine (PubChem CID 83170213) has the molecular formula C10H12ClF2NO2S and a molecular weight of 283.73 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine
PubChem CID83170213
Molecular FormulaC10H12ClF2NO2S
Molecular Weight283.73 g/mol
Exact Mass283.02
IUPAC NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCC(F)F
InChIInChI=1S/C10H12ClF2NO2S/c1-17(15,16)9-4-2-3-8(11)7(9)5-14-6-10(12)13/h2-4,10,14H,5-6H2,1H3
InChIKeyVIHIPUMMTBQIHN-UHFFFAOYSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine (CID 83170213) is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine is CS(=O)(=O)c1cccc(Cl)c1CNCC(F)F.
What is the InChIKey of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine?
The InChIKey is VIHIPUMMTBQIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2S/c1-17(15,16)9-4-2-3-8(11)7(9)5-14-6-10(12)13/h2-4,10,14H,5-6H2,1H3.
What are the key properties of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine?
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine has a molecular weight of 283.73 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 83170213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).