N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide

C27H36N2O2S — CID 70592370

IUPACN-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCCCCCCCCCCN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1CC
InChIInChI=1S/C27H36N2O2S/c1-3-5-6-7-8-9-10-13-22-29(25-19-14-17-24-18-15-21-28-27(24)25)32(30,31)26-20-12-11-16-23(26)4-2/h11-12,14-21H,3-10,13,22H2,1-2H3
InChIKeyVONJNSWDCUTHJA-UHFFFAOYSA-N
MW452.66 g/mol
LogP7.13
Rot. Bonds13

About N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide

N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 70592370) has the molecular formula C27H36N2O2S and a molecular weight of 452.66 g/mol. Its IUPAC name is N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide
PubChem CID70592370
Molecular FormulaC27H36N2O2S
Molecular Weight452.66 g/mol
Exact Mass452.25
IUPAC NameN-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCCCCCCCCCCN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1CC
InChIInChI=1S/C27H36N2O2S/c1-3-5-6-7-8-9-10-13-22-29(25-19-14-17-24-18-15-21-28-27(24)25)32(30,31)26-20-12-11-16-23(26)4-2/h11-12,14-21H,3-10,13,22H2,1-2H3
InChIKeyVONJNSWDCUTHJA-UHFFFAOYSA-N
XLogP7.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.66
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-N-quinolin-8-ylbenzenesulfonamide
CID 54559164
N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146267
N-butylquinoline-8-sulfonamide
CID 2068304
2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
CID 113071747
N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide
CID 23392955
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
CID 123578429
N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide
CID 56791454
N-heptylquinolin-8-amine
CID 43130175
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976

Frequently Asked Questions

What is the IUPAC name of N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide (CID 70592370) is N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide is CCCCCCCCCCN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1CC.
What is the InChIKey of N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is VONJNSWDCUTHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2S/c1-3-5-6-7-8-9-10-13-22-29(25-19-14-17-24-18-15-21-28-27(24)25)32(30,31)26-20-12-11-16-23(26)4-2/h11-12,14-21H,3-10,13,22H2,1-2H3.
What are the key properties of N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide?
N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 452.66 g/mol, XLogP of 7.13, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 70592370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).