2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine

C11H14ClF2NO2S — CID 105424721

IUPAC2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine
SMILESCC(C)S(=O)(=O)c1ccc(C(F)(F)CN)cc1Cl
InChIInChI=1S/C11H14ClF2NO2S/c1-7(2)18(16,17)10-4-3-8(5-9(10)12)11(13,14)6-15/h3-5,7H,6,15H2,1-2H3
InChIKeyYPFPALKMECPHNU-UHFFFAOYSA-N
MW297.75 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine

2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine (PubChem CID 105424721) has the molecular formula C11H14ClF2NO2S and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine
PubChem CID105424721
Molecular FormulaC11H14ClF2NO2S
Molecular Weight297.75 g/mol
Exact Mass297.04
IUPAC Name2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine
SMILESCC(C)S(=O)(=O)c1ccc(C(F)(F)CN)cc1Cl
InChIInChI=1S/C11H14ClF2NO2S/c1-7(2)18(16,17)10-4-3-8(5-9(10)12)11(13,14)6-15/h3-5,7H,6,15H2,1-2H3
InChIKeyYPFPALKMECPHNU-UHFFFAOYSA-N
XLogP2.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-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 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine?
The IUPAC name of 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine (CID 105424721) is 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine is CC(C)S(=O)(=O)c1ccc(C(F)(F)CN)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine?
The InChIKey is YPFPALKMECPHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO2S/c1-7(2)18(16,17)10-4-3-8(5-9(10)12)11(13,14)6-15/h3-5,7H,6,15H2,1-2H3.
What are the key properties of 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine?
2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine has a molecular weight of 297.75 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine is sourced from PubChem (CID 105424721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).