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

Related Compounds

2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2-methylpropan-1-ol
CID 105425093
2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine
CID 105425671
2,4-dichloro-1-propan-2-ylsulfonylbenzene
CID 22953661
2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 83236530
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 124682011
2-(3-chloro-4-propan-2-ylphenyl)-2-fluoropropan-1-amine
CID 105424769
4-tert-butyl-2-chlorobenzenesulfonyl chloride
CID 22148827
[1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol
CID 105424453
2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine
CID 117372590
1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 106002934
(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol
CID 66792507
3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
CID 130574670

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).