2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline

C10H12ClF2NO2S — CID 82889250

IUPAC2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
SMILESCS(=O)(=O)CCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H12ClF2NO2S/c1-17(15,16)4-2-3-14-10-8(11)5-7(12)6-9(10)13/h5-6,14H,2-4H2,1H3
InChIKeyFXPMQNRRDJICSP-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.46
Rot. Bonds5

About 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline

2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline (PubChem CID 82889250) has the molecular formula C10H12ClF2NO2S and a molecular weight of 283.73 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
PubChem CID82889250
Molecular FormulaC10H12ClF2NO2S
Molecular Weight283.73 g/mol
Exact Mass283.02
IUPAC Name2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
SMILESCS(=O)(=O)CCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H12ClF2NO2S/c1-17(15,16)4-2-3-14-10-8(11)5-7(12)6-9(10)13/h5-6,14H,2-4H2,1H3
InChIKeyFXPMQNRRDJICSP-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline 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

2,4,6-trichloro-N-(3-methylsulfonylpropyl)aniline
CID 63190712
2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine
CID 106890224
4-(2-chloro-4,6-difluoroanilino)butan-1-ol
CID 83081105
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
6-(2-chloro-4,6-difluoroanilino)hexanoic acid
CID 83082133
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide
CID 83088363
3-(2-chloro-4,6-difluoroanilino)propanenitrile
CID 83081189
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
CID 83088365
4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide
CID 114141795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline (CID 82889250) is 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline is CS(=O)(=O)CCCNc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline?
The InChIKey is FXPMQNRRDJICSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2S/c1-17(15,16)4-2-3-14-10-8(11)5-7(12)6-9(10)13/h5-6,14H,2-4H2,1H3.
What are the key properties of 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline?
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline has a molecular weight of 283.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline is sourced from PubChem (CID 82889250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).