N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide

C20H16N2O3S — CID 102274855

IUPACN-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccc4cccnc4c23)cc1
InChIInChI=1S/C20H16N2O3S/c1-25-16-9-11-17(12-10-16)26(23,24)22-18-6-2-4-14-7-8-15-5-3-13-21-20(15)19(14)18/h2-13,22H,1H3
InChIKeyFKKMTDLLLAYTOW-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.20
Rot. Bonds4

About N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide

N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide (PubChem CID 102274855) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
PubChem CID102274855
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccc4cccnc4c23)cc1
InChIInChI=1S/C20H16N2O3S/c1-25-16-9-11-17(12-10-16)26(23,24)22-18-6-2-4-14-7-8-15-5-3-13-21-20(15)19(14)18/h2-13,22H,1H3
InChIKeyFKKMTDLLLAYTOW-UHFFFAOYSA-N
XLogP4.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 15293859
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 16604844
4-[(2-methoxyphenyl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 31321858
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
4-hydroxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15294805
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpyridine-3-carboxamide
CID 15293871
4-ethoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734192
N-(6-fluoroquinolin-8-yl)-3,5-dimethoxybenzenesulfonamide
CID 164876932
N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide
CID 58174439

Frequently Asked Questions

What is the IUPAC name of N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide?
The IUPAC name of N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide (CID 102274855) is N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3ccc4cccnc4c23)cc1.
What is the InChIKey of N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide?
The InChIKey is FKKMTDLLLAYTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-25-16-9-11-17(12-10-16)26(23,24)22-18-6-2-4-14-7-8-15-5-3-13-21-20(15)19(14)18/h2-13,22H,1H3.
What are the key properties of N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide?
N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 102274855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).