2,5-difluoro-N-pent-3-ynylbenzenesulfonamide

C11H11F2NO2S — CID 115977957

IUPAC2,5-difluoro-N-pent-3-ynylbenzenesulfonamide
SMILESCC#CCCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2NO2S/c1-2-3-4-7-14-17(15,16)11-8-9(12)5-6-10(11)13/h5-6,8,14H,4,7H2,1H3
InChIKeyGHPJXCGDEYRGJJ-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.66
Rot. Bonds4

About 2,5-difluoro-N-pent-3-ynylbenzenesulfonamide

2,5-difluoro-N-pent-3-ynylbenzenesulfonamide (PubChem CID 115977957) has the molecular formula C11H11F2NO2S and a molecular weight of 259.28 g/mol. Its IUPAC name is 2,5-difluoro-N-pent-3-ynylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-pent-3-ynylbenzenesulfonamide
PubChem CID115977957
Molecular FormulaC11H11F2NO2S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name2,5-difluoro-N-pent-3-ynylbenzenesulfonamide
SMILESCC#CCCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2NO2S/c1-2-3-4-7-14-17(15,16)11-8-9(12)5-6-10(11)13/h5-6,8,14H,4,7H2,1H3
InChIKeyGHPJXCGDEYRGJJ-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 103698123
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
CID 106135621
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
4-methyl-3-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642723
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
CID 113271438
N-[(2,5-difluorophenyl)methyl]pent-3-yn-1-amine
CID 104806918
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-pent-3-ynylbenzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-pent-3-ynylbenzenesulfonamide (CID 115977957) is 2,5-difluoro-N-pent-3-ynylbenzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-pent-3-ynylbenzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-pent-3-ynylbenzenesulfonamide is CC#CCCNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-pent-3-ynylbenzenesulfonamide?
The InChIKey is GHPJXCGDEYRGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2S/c1-2-3-4-7-14-17(15,16)11-8-9(12)5-6-10(11)13/h5-6,8,14H,4,7H2,1H3.
What are the key properties of 2,5-difluoro-N-pent-3-ynylbenzenesulfonamide?
2,5-difluoro-N-pent-3-ynylbenzenesulfonamide has a molecular weight of 259.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-pent-3-ynylbenzenesulfonamide is sourced from PubChem (CID 115977957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).