N-hex-5-yn-3-yl-2-phenylethanesulfonamide

C14H19NO2S — CID 115650500

IUPACN-hex-5-yn-3-yl-2-phenylethanesulfonamide
SMILESC#CCC(CC)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H19NO2S/c1-3-8-14(4-2)15-18(16,17)12-11-13-9-6-5-7-10-13/h1,5-7,9-10,14-15H,4,8,11-12H2,2H3
InChIKeyCOJZPCHBQFRWLT-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.95
Rot. Bonds7

About N-hex-5-yn-3-yl-2-phenylethanesulfonamide

N-hex-5-yn-3-yl-2-phenylethanesulfonamide (PubChem CID 115650500) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-2-phenylethanesulfonamide
PubChem CID115650500
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-hex-5-yn-3-yl-2-phenylethanesulfonamide
SMILESC#CCC(CC)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H19NO2S/c1-3-8-14(4-2)15-18(16,17)12-11-13-9-6-5-7-10-13/h1,5-7,9-10,14-15H,4,8,11-12H2,2H3
InChIKeyCOJZPCHBQFRWLT-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.95
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

N-hex-5-yn-3-yl-2-methylsulfonylethanesulfonamide
CID 115650472
1-(3-aminophenyl)-N-hex-5-yn-3-ylmethanesulfonamide
CID 113476915
2-methyl-3-(2-phenylethylsulfonylamino)butanoic acid
CID 113415931
3-cyano-N-[(2R)-1-phenylbutan-2-yl]propane-1-sulfonamide
CID 95621949
N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
CID 80688482
N-hex-5-yn-3-yl-1-(4-nitrophenyl)methanesulfonamide
CID 115650531
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
N-hex-5-yn-3-yl-3-phenyl-2-sulfanylpropanamide
CID 107035321
(2S,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 10891492
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178
N-(3-bromopentyl)-2-phenylethanesulfonamide
CID 113498008
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 103697877

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-2-phenylethanesulfonamide?
The IUPAC name of N-hex-5-yn-3-yl-2-phenylethanesulfonamide (CID 115650500) is N-hex-5-yn-3-yl-2-phenylethanesulfonamide.
What is the SMILES notation for N-hex-5-yn-3-yl-2-phenylethanesulfonamide?
The canonical SMILES for N-hex-5-yn-3-yl-2-phenylethanesulfonamide is C#CCC(CC)NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-hex-5-yn-3-yl-2-phenylethanesulfonamide?
The InChIKey is COJZPCHBQFRWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-8-14(4-2)15-18(16,17)12-11-13-9-6-5-7-10-13/h1,5-7,9-10,14-15H,4,8,11-12H2,2H3.
What are the key properties of N-hex-5-yn-3-yl-2-phenylethanesulfonamide?
N-hex-5-yn-3-yl-2-phenylethanesulfonamide has a molecular weight of 265.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-2-phenylethanesulfonamide is sourced from PubChem (CID 115650500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).