N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide

C17H20F2N2O2S — CID 47013259

IUPACN-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
SMILESCN(CCCNS(=O)(=O)c1ccc(F)cc1F)Cc1ccccc1
InChIInChI=1S/C17H20F2N2O2S/c1-21(13-14-6-3-2-4-7-14)11-5-10-20-24(22,23)17-9-8-15(18)12-16(17)19/h2-4,6-9,12,20H,5,10-11,13H2,1H3
InChIKeyVDMDCNVHPQAOJS-UHFFFAOYSA-N
MW354.42 g/mol
LogP2.77
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide

N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide (PubChem CID 47013259) has the molecular formula C17H20F2N2O2S and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
PubChem CID47013259
Molecular FormulaC17H20F2N2O2S
Molecular Weight354.42 g/mol
Exact Mass354.12
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
SMILESCN(CCCNS(=O)(=O)c1ccc(F)cc1F)Cc1ccccc1
InChIInChI=1S/C17H20F2N2O2S/c1-21(13-14-6-3-2-4-7-14)11-5-10-20-24(22,23)17-9-8-15(18)12-16(17)19/h2-4,6-9,12,20H,5,10-11,13H2,1H3
InChIKeyVDMDCNVHPQAOJS-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide 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-[3-[benzyl(methyl)amino]propyl]-3,5-difluorobenzenesulfonamide
CID 47015302
N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide
CID 38257263
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide
CID 110446606
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961
N-[3-[benzyl(methyl)amino]propyl]-5-cyano-2-methylbenzenesulfonamide
CID 113236088
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
5-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 39622537
2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
CID 62376760
4-amino-N-[3-[benzyl(methyl)amino]propyl]-2,6-dibromobenzenesulfonamide
CID 113222920
4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
CID 51249681

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide (CID 47013259) is N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide is CN(CCCNS(=O)(=O)c1ccc(F)cc1F)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is VDMDCNVHPQAOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2S/c1-21(13-14-6-3-2-4-7-14)11-5-10-20-24(22,23)17-9-8-15(18)12-16(17)19/h2-4,6-9,12,20H,5,10-11,13H2,1H3.
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide?
N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 354.42 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 47013259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).