2-octylquinoline-8-sulfonamide

C17H24N2O2S — CID 67803387

IUPAC2-octylquinoline-8-sulfonamide
SMILESCCCCCCCCc1ccc2cccc(S(N)(=O)=O)c2n1
InChIInChI=1S/C17H24N2O2S/c1-2-3-4-5-6-7-10-15-13-12-14-9-8-11-16(17(14)19-15)22(18,20)21/h8-9,11-13H,2-7,10H2,1H3,(H2,18,20,21)
InChIKeyYSBLBDUJZGECHU-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.79
Rot. Bonds8

About 2-octylquinoline-8-sulfonamide

2-octylquinoline-8-sulfonamide (PubChem CID 67803387) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-octylquinoline-8-sulfonamide.

Molecular Properties

Compound Name2-octylquinoline-8-sulfonamide
PubChem CID67803387
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-octylquinoline-8-sulfonamide
SMILESCCCCCCCCc1ccc2cccc(S(N)(=O)=O)c2n1
InChIInChI=1S/C17H24N2O2S/c1-2-3-4-5-6-7-10-15-13-12-14-9-8-11-16(17(14)19-15)22(18,20)21/h8-9,11-13H,2-7,10H2,1H3,(H2,18,20,21)
InChIKeyYSBLBDUJZGECHU-UHFFFAOYSA-N
XLogP3.79
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1,10-phenanthroline
CID 150280165
2-nonylbenzenesulfonamide
CID 70447042
2,6-didodecylpyridine
CID 90943274
2,6-dipentylpyridine
CID 58097448
2-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-8-sulfonamide
CID 68800168
2-pentyl-1,8-naphthyridine
CID 11481079
8-ethyl-2-propylquinoline
CID 58320607
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzenesulfonamide
CID 175087049
2-methyl-6-nonylpyridine
CID 165359246
2-methyl-6-tridecylpyridine
CID 572285
3-(hexylamino)-2-methylbenzenesulfonamide
CID 54866925
sodium 7-tetradecylnaphthalene-1-sulfonate
CID 101317075

Frequently Asked Questions

What is the IUPAC name of 2-octylquinoline-8-sulfonamide?
The IUPAC name of 2-octylquinoline-8-sulfonamide (CID 67803387) is 2-octylquinoline-8-sulfonamide.
What is the SMILES notation for 2-octylquinoline-8-sulfonamide?
The canonical SMILES for 2-octylquinoline-8-sulfonamide is CCCCCCCCc1ccc2cccc(S(N)(=O)=O)c2n1.
What is the InChIKey of 2-octylquinoline-8-sulfonamide?
The InChIKey is YSBLBDUJZGECHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-2-3-4-5-6-7-10-15-13-12-14-9-8-11-16(17(14)19-15)22(18,20)21/h8-9,11-13H,2-7,10H2,1H3,(H2,18,20,21).
What are the key properties of 2-octylquinoline-8-sulfonamide?
2-octylquinoline-8-sulfonamide has a molecular weight of 320.46 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylquinoline-8-sulfonamide is sourced from PubChem (CID 67803387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).