2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide

C16H17F2NO2S — CID 19680959

IUPAC2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C16H17F2NO2S/c17-14-9-10-15(18)16(12-14)22(20,21)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11H2
InChIKeyNUKXPMQWKHEYMD-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.27
Rot. Bonds7

About 2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide

2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide (PubChem CID 19680959) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
PubChem CID19680959
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC Name2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C16H17F2NO2S/c17-14-9-10-15(18)16(12-14)22(20,21)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11H2
InChIKeyNUKXPMQWKHEYMD-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

2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 103698123
N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
CID 47013259
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide (CID 19680959) is 2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide is O=S(=O)(NCCCCc1ccccc1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
The InChIKey is NUKXPMQWKHEYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2S/c17-14-9-10-15(18)16(12-14)22(20,21)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11H2.
What are the key properties of 2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
2,5-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 2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 19680959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).