N-dodecyl-N-quinolin-8-ylbenzenesulfonamide

C27H36N2O2S — CID 54559164

IUPACN-dodecyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCCCCCCCCCCCCN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H36N2O2S/c1-2-3-4-5-6-7-8-9-10-14-23-29(32(30,31)25-19-12-11-13-20-25)26-21-15-17-24-18-16-22-28-27(24)26/h11-13,15-22H,2-10,14,23H2,1H3
InChIKeyZPHZSRCTMVTLFP-UHFFFAOYSA-N
MW452.66 g/mol
LogP7.35
Rot. Bonds14

About N-dodecyl-N-quinolin-8-ylbenzenesulfonamide

N-dodecyl-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 54559164) has the molecular formula C27H36N2O2S and a molecular weight of 452.66 g/mol. Its IUPAC name is N-dodecyl-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-dodecyl-N-quinolin-8-ylbenzenesulfonamide
PubChem CID54559164
Molecular FormulaC27H36N2O2S
Molecular Weight452.66 g/mol
Exact Mass452.25
IUPAC NameN-dodecyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCCCCCCCCCCCCN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H36N2O2S/c1-2-3-4-5-6-7-8-9-10-14-23-29(32(30,31)25-19-12-11-13-20-25)26-21-15-17-24-18-16-22-28-27(24)26/h11-13,15-22H,2-10,14,23H2,1H3
InChIKeyZPHZSRCTMVTLFP-UHFFFAOYSA-N
XLogP7.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.66
LogP ≤ 57.35
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-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide
CID 70592370
N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
CID 118986815
N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146267
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide
CID 54316664
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208
N-butyl-N-[4-chloro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]benzenesulfonamide
CID 174618681
2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
CID 113071747
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
N-(2-bromo-3-pyridinyl)-N-but-3-enylbenzenesulfonamide
CID 134845333
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
CID 113071764
N-quinolin-8-yl-4-tridecylbenzenesulfonamide
CID 102007956

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of N-dodecyl-N-quinolin-8-ylbenzenesulfonamide (CID 54559164) is N-dodecyl-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for N-dodecyl-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for N-dodecyl-N-quinolin-8-ylbenzenesulfonamide is CCCCCCCCCCCCN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-dodecyl-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is ZPHZSRCTMVTLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2S/c1-2-3-4-5-6-7-8-9-10-14-23-29(32(30,31)25-19-12-11-13-20-25)26-21-15-17-24-18-16-22-28-27(24)26/h11-13,15-22H,2-10,14,23H2,1H3.
What are the key properties of N-dodecyl-N-quinolin-8-ylbenzenesulfonamide?
N-dodecyl-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 452.66 g/mol, XLogP of 7.35, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 54559164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).