2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide

C13H15Cl2NO2S — CID 19684142

IUPAC2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide
SMILESC#CC(CC)(CC)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO2S/c1-4-13(5-2,6-3)16-19(17,18)12-9-10(14)7-8-11(12)15/h1,7-9,16H,5-6H2,2-3H3
InChIKeyHWDXBNYSEZYFEI-UHFFFAOYSA-N
MW320.24 g/mol
LogP3.46
Rot. Bonds5

About 2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide

2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide (PubChem CID 19684142) has the molecular formula C13H15Cl2NO2S and a molecular weight of 320.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide
PubChem CID19684142
Molecular FormulaC13H15Cl2NO2S
Molecular Weight320.24 g/mol
Exact Mass319.02
IUPAC Name2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide
SMILESC#CC(CC)(CC)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO2S/c1-4-13(5-2,6-3)16-19(17,18)12-9-10(14)7-8-11(12)15/h1,7-9,16H,5-6H2,2-3H3
InChIKeyHWDXBNYSEZYFEI-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
CID 107848386
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide
CID 25048781
2,5-dichloro-N-(3-ethynylphenyl)benzenesulfonamide
CID 30284577
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
N-(3-ethylpent-1-yn-3-yl)-4-nitrobenzenesulfonamide
CID 19684129
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
CID 66170118
5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031342
2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
CID 34132352
2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide
CID 78970204

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide (CID 19684142) is 2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide is C#CC(CC)(CC)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide?
The InChIKey is HWDXBNYSEZYFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2S/c1-4-13(5-2,6-3)16-19(17,18)12-9-10(14)7-8-11(12)15/h1,7-9,16H,5-6H2,2-3H3.
What are the key properties of 2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide?
2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide has a molecular weight of 320.24 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide is sourced from PubChem (CID 19684142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).