N-butylquinoline-8-sulfonamide

C13H16N2O2S — CID 2068304

IUPACN-butylquinoline-8-sulfonamide
SMILESCCCCNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C13H16N2O2S/c1-2-3-10-15-18(16,17)12-8-4-6-11-7-5-9-14-13(11)12/h4-9,15H,2-3,10H2,1H3
InChIKeyUAMNHHMIANZKGC-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.31
Rot. Bonds5

About N-butylquinoline-8-sulfonamide

N-butylquinoline-8-sulfonamide (PubChem CID 2068304) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-butylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-butylquinoline-8-sulfonamide
PubChem CID2068304
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-butylquinoline-8-sulfonamide
SMILESCCCCNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C13H16N2O2S/c1-2-3-10-15-18(16,17)12-8-4-6-11-7-5-9-14-13(11)12/h4-9,15H,2-3,10H2,1H3
InChIKeyUAMNHHMIANZKGC-UHFFFAOYSA-N
XLogP2.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butylquinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide
CID 90556457
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
N-butyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3377484
N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 4619893
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3734438
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
CID 121137843
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219

Frequently Asked Questions

What is the IUPAC name of N-butylquinoline-8-sulfonamide?
The IUPAC name of N-butylquinoline-8-sulfonamide (CID 2068304) is N-butylquinoline-8-sulfonamide.
What is the SMILES notation for N-butylquinoline-8-sulfonamide?
The canonical SMILES for N-butylquinoline-8-sulfonamide is CCCCNS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-butylquinoline-8-sulfonamide?
The InChIKey is UAMNHHMIANZKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-3-10-15-18(16,17)12-8-4-6-11-7-5-9-14-13(11)12/h4-9,15H,2-3,10H2,1H3.
What are the key properties of N-butylquinoline-8-sulfonamide?
N-butylquinoline-8-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylquinoline-8-sulfonamide is sourced from PubChem (CID 2068304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).