2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide

C16H17F2NO2S — CID 3847681

IUPAC2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO2S/c17-14-10-6-11-15(18)16(14)22(20,21)19-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11,19H,4-5,9,12H2
InChIKeyUCENPBMGFUVPQV-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.27
Rot. Bonds7

About 2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide

2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide (PubChem CID 3847681) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
PubChem CID3847681
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC Name2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO2S/c17-14-10-6-11-15(18)16(14)22(20,21)19-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11,19H,4-5,9,12H2
InChIKeyUCENPBMGFUVPQV-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
2,6-difluoro-N-(4-phenylbutyl)aniline
CID 114333174
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide (CID 3847681) is 2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide is O=S(=O)(NCCCCc1ccccc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
The InChIKey is UCENPBMGFUVPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2S/c17-14-10-6-11-15(18)16(14)22(20,21)19-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11,19H,4-5,9,12H2.
What are the key properties of 2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide has a molecular weight of 325.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 3847681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).