2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide

C10H14F2N2O2S — CID 43602835

IUPAC2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H14F2N2O2S/c1-13-5-2-6-14-17(15,16)10-4-3-8(11)7-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyXWBIFEMIEDXWCL-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.85
Rot. Bonds6

About 2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide

2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide (PubChem CID 43602835) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
PubChem CID43602835
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H14F2N2O2S/c1-13-5-2-6-14-17(15,16)10-4-3-8(11)7-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyXWBIFEMIEDXWCL-UHFFFAOYSA-N
XLogP0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
CID 47013259
methyl 4-fluoro-2-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119965118
tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]butanoate
CID 3577998
2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 110758295
N-butyl-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79189657
N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide
CID 38257263
2,6-difluoro-3-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61404116
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide (CID 43602835) is 2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide is CNCCCNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is XWBIFEMIEDXWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-13-5-2-6-14-17(15,16)10-4-3-8(11)7-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of 2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide?
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 43602835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).