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

C24H19Cl3N4O3S — CID 44609705

IUPAC2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H19Cl3N4O3S/c25-18-2-1-3-19(26)23(18)35(32,33)30-21-13-16(14-29-24(21)27)15-4-5-20-17(12-15)22(6-7-28-20)31-8-10-34-11-9-31/h1-7,12-14,30H,8-11H2
InChIKeyWFCVOUQRRQZXPP-UHFFFAOYSA-N
MW549.87 g/mol
LogP5.89
Rot. Bonds5

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

2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 44609705) has the molecular formula C24H19Cl3N4O3S and a molecular weight of 549.87 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID44609705
Molecular FormulaC24H19Cl3N4O3S
Molecular Weight549.87 g/mol
Exact Mass548.02
IUPAC Name2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H19Cl3N4O3S/c25-18-2-1-3-19(26)23(18)35(32,33)30-21-13-16(14-29-24(21)27)15-4-5-20-17(12-15)22(6-7-28-20)31-8-10-34-11-9-31/h1-7,12-14,30H,8-11H2
InChIKeyWFCVOUQRRQZXPP-UHFFFAOYSA-N
XLogP5.89
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.87
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-{2-Chloro-5-[4-(Morpholin-4-Yl)quinolin-6-Yl]pyridin-3-Yl}-4-Fluorobenzenesulfonamide
CID 44608915
N-[2-chloro-5-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608754
N-[2-chloro-5-[4-(4-hydroxypiperidin-1-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609391
N-[5-[4-(4-benzylpiperazin-1-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609547
N-[2-chloro-5-(4-pyridin-3-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53361718
N-[2-chloro-5-[4-[4-(dimethylamino)phenyl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53363523
N-[2-chloro-5-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]quinolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74539042
N-[2-chloro-5-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 74539109
N-[2-chloro-5-[4-[4-[(dimethylamino)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 121406011
N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 156767718
N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 156767722
PI3K-IN-29
CID 163196401

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 44609705) is 2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is WFCVOUQRRQZXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3N4O3S/c25-18-2-1-3-19(26)23(18)35(32,33)30-21-13-16(14-29-24(21)27)15-4-5-20-17(12-15)22(6-7-28-20)31-8-10-34-11-9-31/h1-7,12-14,30H,8-11H2.
What are the key properties of 2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 549.87 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 44609705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).