2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide

C12H17F2NO3S — CID 3851182

IUPAC2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO3S/c1-2-8-18-9-4-7-15-19(16,17)12-10(13)5-3-6-11(12)14/h3,5-6,15H,2,4,7-9H2,1H3
InChIKeyWEOLAFTZKYBLKZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.06
Rot. Bonds8

About 2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide

2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide (PubChem CID 3851182) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
PubChem CID3851182
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO3S/c1-2-8-18-9-4-7-15-19(16,17)12-10(13)5-3-6-11(12)14/h3,5-6,15H,2,4,7-9H2,1H3
InChIKeyWEOLAFTZKYBLKZ-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949733
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
2-methyl-3-(3-propoxypropylsulfamoyl)benzoic acid
CID 82941000
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074143
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074176

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide (CID 3851182) is 2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide is CCCOCCCNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide?
The InChIKey is WEOLAFTZKYBLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-2-8-18-9-4-7-15-19(16,17)12-10(13)5-3-6-11(12)14/h3,5-6,15H,2,4,7-9H2,1H3.
What are the key properties of 2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide?
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide has a molecular weight of 293.33 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide is sourced from PubChem (CID 3851182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).