N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

C24H20ClFN4O3S — CID 44608915

IUPACN-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
InChIKeyRTARVPHTCQRSDW-UHFFFAOYSA-N
MW498.97 g/mol
LogP4.73
Rot. Bonds5

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

N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 44608915) has the molecular formula C24H20ClFN4O3S and a molecular weight of 498.97 g/mol. Its IUPAC name is N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID44608915
Molecular FormulaC24H20ClFN4O3S
Molecular Weight498.97 g/mol
Exact Mass498.09
IUPAC NameN-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
InChIKeyRTARVPHTCQRSDW-UHFFFAOYSA-N
XLogP4.73
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 44608915) is N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is RTARVPHTCQRSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2.
What are the key properties of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 498.97 g/mol, XLogP of 4.73, 5 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-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 44608915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).