N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide

C21H18N2O2S — CID 46308022

IUPACN-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccnc3c2ccc2ccccc23)c1
InChIInChI=1S/C21H18N2O2S/c1-14-7-8-15(2)20(13-14)26(24,25)23-19-11-12-22-21-17-6-4-3-5-16(17)9-10-18(19)21/h3-13H,1-2H3,(H,22,23)
InChIKeyUSYKVEWHOIDUPO-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.81
Rot. Bonds3

About N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide

N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide (PubChem CID 46308022) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide
PubChem CID46308022
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccnc3c2ccc2ccccc23)c1
InChIInChI=1S/C21H18N2O2S/c1-14-7-8-15(2)20(13-14)26(24,25)23-19-11-12-22-21-17-6-4-3-5-16(17)9-10-18(19)21/h3-13H,1-2H3,(H,22,23)
InChIKeyUSYKVEWHOIDUPO-UHFFFAOYSA-N
XLogP4.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide 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-benzo[h]quinolin-4-ylbenzenesulfonamide
CID 46307991
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
6-methyl-N-(2-methylphenyl)quinoline-8-sulfonamide
CID 7304307
2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 15944002
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide
CID 2353142
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103907913
N-(1H-indazol-3-yl)-2,5-dimethylbenzenesulfonamide
CID 62686396
2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 76506701

Frequently Asked Questions

What is the IUPAC name of N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide (CID 46308022) is N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccnc3c2ccc2ccccc23)c1.
What is the InChIKey of N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide?
The InChIKey is USYKVEWHOIDUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-14-7-8-15(2)20(13-14)26(24,25)23-19-11-12-22-21-17-6-4-3-5-16(17)9-10-18(19)21/h3-13H,1-2H3,(H,22,23).
What are the key properties of N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide?
N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 46308022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).