2,5-difluoro-N-pent-4-ynylbenzenesulfonamide

C11H11F2NO2S — CID 103698123

IUPAC2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
SMILESC#CCCCNS(=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/h1,5-6,8,14H,3-4,7H2
InChIKeyAMLGSCCBKNCJKB-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.66
Rot. Bonds5

About 2,5-difluoro-N-pent-4-ynylbenzenesulfonamide

2,5-difluoro-N-pent-4-ynylbenzenesulfonamide (PubChem CID 103698123) has the molecular formula C11H11F2NO2S and a molecular weight of 259.28 g/mol. Its IUPAC name is 2,5-difluoro-N-pent-4-ynylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
PubChem CID103698123
Molecular FormulaC11H11F2NO2S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
SMILESC#CCCCNS(=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/h1,5-6,8,14H,3-4,7H2
InChIKeyAMLGSCCBKNCJKB-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

5-fluoro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 113255940
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
3-amino-2,4-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 114159860
2,5-difluoro-N-pent-3-ynylbenzenesulfonamide
CID 115977957
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
2-fluoro-1-N-pent-4-ynylbenzene-1,4-disulfonamide
CID 113242742
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
CID 106135621
3,4-difluoro-N-hex-5-ynylbenzenesulfonamide
CID 113255956
2-amino-5-chloro-N-hex-5-ynylbenzenesulfonamide
CID 106208461
N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
CID 106305837
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-pent-4-ynylbenzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-pent-4-ynylbenzenesulfonamide (CID 103698123) is 2,5-difluoro-N-pent-4-ynylbenzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-pent-4-ynylbenzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-pent-4-ynylbenzenesulfonamide is C#CCCCNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-pent-4-ynylbenzenesulfonamide?
The InChIKey is AMLGSCCBKNCJKB-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/h1,5-6,8,14H,3-4,7H2.
What are the key properties of 2,5-difluoro-N-pent-4-ynylbenzenesulfonamide?
2,5-difluoro-N-pent-4-ynylbenzenesulfonamide has a molecular weight of 259.28 g/mol, XLogP of 1.66, 5 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-4-ynylbenzenesulfonamide is sourced from PubChem (CID 103698123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).