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

C24H20Cl2N4O3S — CID 44609704

IUPAC2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccccc1Cl
InChIInChI=1S/C24H20Cl2N4O3S/c25-19-3-1-2-4-23(19)34(31,32)29-21-14-17(15-28-24(21)26)16-5-6-20-18(13-16)22(7-8-27-20)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
InChIKeyFFSQBPAROCVTDB-UHFFFAOYSA-N
MW515.42 g/mol
LogP5.24
Rot. Bonds5

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

2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 44609704) has the molecular formula C24H20Cl2N4O3S and a molecular weight of 515.42 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID44609704
Molecular FormulaC24H20Cl2N4O3S
Molecular Weight515.42 g/mol
Exact Mass514.06
IUPAC Name2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccccc1Cl
InChIInChI=1S/C24H20Cl2N4O3S/c25-19-3-1-2-4-23(19)34(31,32)29-21-14-17(15-28-24(21)26)16-5-6-20-18(13-16)22(7-8-27-20)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
InChIKeyFFSQBPAROCVTDB-UHFFFAOYSA-N
XLogP5.24
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.42
LogP ≤ 55.24
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 2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 44609704) is 2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is FFSQBPAROCVTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3S/c25-19-3-1-2-4-23(19)34(31,32)29-21-14-17(15-28-24(21)26)16-5-6-20-18(13-16)22(7-8-27-20)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2.
What are the key properties of 2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 515.42 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 44609704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).