N-hex-5-ynylisoquinoline-5-sulfonamide

C15H16N2O2S — CID 103756893

IUPACN-hex-5-ynylisoquinoline-5-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H16N2O2S/c1-2-3-4-5-10-17-20(18,19)15-8-6-7-13-12-16-11-9-14(13)15/h1,6-9,11-12,17H,3-5,10H2
InChIKeyOSBRENYUZWWEFF-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.32
Rot. Bonds6

About N-hex-5-ynylisoquinoline-5-sulfonamide

N-hex-5-ynylisoquinoline-5-sulfonamide (PubChem CID 103756893) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-hex-5-ynylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-hex-5-ynylisoquinoline-5-sulfonamide
PubChem CID103756893
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-hex-5-ynylisoquinoline-5-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H16N2O2S/c1-2-3-4-5-10-17-20(18,19)15-8-6-7-13-12-16-11-9-14(13)15/h1,6-9,11-12,17H,3-5,10H2
InChIKeyOSBRENYUZWWEFF-UHFFFAOYSA-N
XLogP2.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(3-cyanopropyl)isoquinoline-5-sulfonamide
CID 55102562
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-[3-(2-aminoethoxy)propyl]isoquinoline-5-sulfonamide
CID 106308158
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
CID 106154222
N-(3-hydroxybutyl)isoquinoline-5-sulfonamide
CID 64910604
N-[2-(2-chloroethoxy)ethyl]isoquinoline-5-sulfonamide
CID 65033740
N-[2-(2-bromoethoxy)ethyl]isoquinoline-5-sulfonamide
CID 114295991
N-(3-hydroxy-2,2-dimethylpropyl)isoquinoline-5-sulfonamide
CID 115363092
N-hex-5-ynyl-2-hydroxybenzenesulfonamide
CID 114159058
2-[2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]phenyl]guanidine
CID 70089616
N-(3-chloro-4-methoxybutyl)isoquinoline-5-sulfonamide
CID 106245479

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynylisoquinoline-5-sulfonamide?
The IUPAC name of N-hex-5-ynylisoquinoline-5-sulfonamide (CID 103756893) is N-hex-5-ynylisoquinoline-5-sulfonamide.
What is the SMILES notation for N-hex-5-ynylisoquinoline-5-sulfonamide?
The canonical SMILES for N-hex-5-ynylisoquinoline-5-sulfonamide is C#CCCCCNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-hex-5-ynylisoquinoline-5-sulfonamide?
The InChIKey is OSBRENYUZWWEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-3-4-5-10-17-20(18,19)15-8-6-7-13-12-16-11-9-14(13)15/h1,6-9,11-12,17H,3-5,10H2.
What are the key properties of N-hex-5-ynylisoquinoline-5-sulfonamide?
N-hex-5-ynylisoquinoline-5-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynylisoquinoline-5-sulfonamide is sourced from PubChem (CID 103756893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).