N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide

C23H19ClFN3O4S — CID 44609700

IUPACN-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOCCOc1ccnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc12
InChIInChI=1S/C23H19ClFN3O4S/c1-31-10-11-32-22-8-9-26-20-7-2-15(12-19(20)22)16-13-21(23(24)27-14-16)28-33(29,30)18-5-3-17(25)4-6-18/h2-9,12-14,28H,10-11H2,1H3
InChIKeyQLLUSBJMPSIMPU-UHFFFAOYSA-N
MW487.94 g/mol
LogP4.92
Rot. Bonds8

About N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 44609700) has the molecular formula C23H19ClFN3O4S and a molecular weight of 487.94 g/mol. Its IUPAC name is N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID44609700
Molecular FormulaC23H19ClFN3O4S
Molecular Weight487.94 g/mol
Exact Mass487.08
IUPAC NameN-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOCCOc1ccnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc12
InChIInChI=1S/C23H19ClFN3O4S/c1-31-10-11-32-22-8-9-26-20-7-2-15(12-19(20)22)16-13-21(23(24)27-14-16)28-33(29,30)18-5-3-17(25)4-6-18/h2-9,12-14,28H,10-11H2,1H3
InChIKeyQLLUSBJMPSIMPU-UHFFFAOYSA-N
XLogP4.92
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(6-bromoquinolin-4-yl)oxy-3,3-dimethylbutan-2-yl]carbamic acid;tert-butyl-[2-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]oxyethyl]carbamic acid
CID 87263513
N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane
CID 143915344
6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-4-[2-methoxyethyl(methyl)amino]quinoline
CID 58229472
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
CID 53387738
N-[2-chloro-5-[4-(4-methoxypiperidin-1-yl)quinolin-6-yl]-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 44610158
N-[2-chloro-5-[3-(2-phenoxyethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610480
N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608118
N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608268
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide
CID 25144376
N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide
CID 141437586
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 59859963

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 44609700) is N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is COCCOc1ccnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc12.
What is the InChIKey of N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is QLLUSBJMPSIMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4S/c1-31-10-11-32-22-8-9-26-20-7-2-15(12-19(20)22)16-13-21(23(24)27-14-16)28-33(29,30)18-5-3-17(25)4-6-18/h2-9,12-14,28H,10-11H2,1H3.
What are the key properties of N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 487.94 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 44609700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).