N-quinolin-8-yl-4-tridecylbenzenesulfonamide

C28H38N2O2S — CID 102007956

IUPACN-quinolin-8-yl-4-tridecylbenzenesulfonamide
SMILESCCCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C28H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-19-21-26(22-20-24)33(31,32)30-27-18-13-16-25-17-14-23-29-28(25)27/h13-14,16-23,30H,2-12,15H2,1H3
InChIKeyWEUDQNXSDLAAII-UHFFFAOYSA-N
MW466.69 g/mol
LogP7.89
Rot. Bonds15

About N-quinolin-8-yl-4-tridecylbenzenesulfonamide

N-quinolin-8-yl-4-tridecylbenzenesulfonamide (PubChem CID 102007956) has the molecular formula C28H38N2O2S and a molecular weight of 466.69 g/mol. Its IUPAC name is N-quinolin-8-yl-4-tridecylbenzenesulfonamide.

Molecular Properties

Compound NameN-quinolin-8-yl-4-tridecylbenzenesulfonamide
PubChem CID102007956
Molecular FormulaC28H38N2O2S
Molecular Weight466.69 g/mol
Exact Mass466.27
IUPAC NameN-quinolin-8-yl-4-tridecylbenzenesulfonamide
SMILESCCCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C28H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-19-21-26(22-20-24)33(31,32)30-27-18-13-16-25-17-14-23-29-28(25)27/h13-14,16-23,30H,2-12,15H2,1H3
InChIKeyWEUDQNXSDLAAII-UHFFFAOYSA-N
XLogP7.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.69
LogP ≤ 57.89
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

N-[(4-heptylphenyl)methyl]quinolin-8-amine
CID 71429498
4-butyl-N-quinolin-5-ylbenzenesulfonamide
CID 3337546
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
4-hexyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 84552349
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738
N-heptylquinolin-8-amine
CID 43130175
N-anthracen-2-yl-4-pentylbenzenesulfonamide
CID 3844846
N-quinolin-8-ylundecanamide
CID 3567928
3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide
CID 171466452
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-4-tridecylbenzenesulfonamide?
The IUPAC name of N-quinolin-8-yl-4-tridecylbenzenesulfonamide (CID 102007956) is N-quinolin-8-yl-4-tridecylbenzenesulfonamide.
What is the SMILES notation for N-quinolin-8-yl-4-tridecylbenzenesulfonamide?
The canonical SMILES for N-quinolin-8-yl-4-tridecylbenzenesulfonamide is CCCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of N-quinolin-8-yl-4-tridecylbenzenesulfonamide?
The InChIKey is WEUDQNXSDLAAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-19-21-26(22-20-24)33(31,32)30-27-18-13-16-25-17-14-23-29-28(25)27/h13-14,16-23,30H,2-12,15H2,1H3.
What are the key properties of N-quinolin-8-yl-4-tridecylbenzenesulfonamide?
N-quinolin-8-yl-4-tridecylbenzenesulfonamide has a molecular weight of 466.69 g/mol, XLogP of 7.89, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-4-tridecylbenzenesulfonamide is sourced from PubChem (CID 102007956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).