N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide

C14H19NO2S — CID 115650518

IUPACN-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide
SMILESC#CCC(CC)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H19NO2S/c1-5-7-13(6-2)15-18(16,17)14-10-11(3)8-9-12(14)4/h1,8-10,13,15H,6-7H2,2-4H3
InChIKeyCCXFWUAUWJYBSO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.38
Rot. Bonds5

About N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide

N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide (PubChem CID 115650518) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide
PubChem CID115650518
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide
SMILESC#CCC(CC)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H19NO2S/c1-5-7-13(6-2)15-18(16,17)14-10-11(3)8-9-12(14)4/h1,8-10,13,15H,6-7H2,2-4H3
InChIKeyCCXFWUAUWJYBSO-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.38
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-bromo-N-hex-5-yn-3-yl-4-methylbenzenesulfonamide
CID 115650520
N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide
CID 115650497
5-amino-2-chloro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 113476920
2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 113476917
N-hex-5-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 115650486
2-fluoro-1-N-hex-5-yn-3-ylbenzene-1,4-disulfonamide
CID 115650539
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904
2,4,6-trifluoro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650481
N-(1-chlorobutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65033438
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 53289057
3-fluoro-N-hex-5-yn-3-yl-2-nitrobenzenesulfonamide
CID 115650580

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide (CID 115650518) is N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide is C#CCC(CC)NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide?
The InChIKey is CCXFWUAUWJYBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-5-7-13(6-2)15-18(16,17)14-10-11(3)8-9-12(14)4/h1,8-10,13,15H,6-7H2,2-4H3.
What are the key properties of N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide?
N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide has a molecular weight of 265.38 g/mol, XLogP of 2.38, 5 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-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 115650518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).