6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide

C24H28ClN5O5S — CID 164622891

IUPAC6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCOc1ccc(Oc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C24H28ClN5O5S/c1-4-33-17-5-7-18(8-6-17)34-21-15-20(36(31,32)29(2)3)16-26-24(21)30-13-11-19(12-14-30)35-23-10-9-22(25)27-28-23/h5-10,15-16,19H,4,11-14H2,1-3H3
InChIKeyFUYKJGVYYSHANR-UHFFFAOYSA-N
MW534.04 g/mol
LogP4.01
Rot. Bonds9

About 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide

6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 164622891) has the molecular formula C24H28ClN5O5S and a molecular weight of 534.04 g/mol. Its IUPAC name is 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID164622891
Molecular FormulaC24H28ClN5O5S
Molecular Weight534.04 g/mol
Exact Mass533.15
IUPAC Name6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCOc1ccc(Oc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C24H28ClN5O5S/c1-4-33-17-5-7-18(8-6-17)34-21-15-20(36(31,32)29(2)3)16-26-24(21)30-13-11-19(12-14-30)35-23-10-9-22(25)27-28-23/h5-10,15-16,19H,4,11-14H2,1-3H3
InChIKeyFUYKJGVYYSHANR-UHFFFAOYSA-N
XLogP4.01
TPSA106.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.04
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide with MolForge

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Related Compounds

6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 146613768
6-[4-[2-(4-Chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 9203843
6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164609128
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164608986
6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164615961
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide
CID 164627982
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 2998396
N,N-diethyl-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 16303817
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17425288
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 24508364
2-[4-(4-Chlorophenoxy)piperidin-1-yl]-3-(4-ethoxyphenoxy)-5-methylsulfonylpyridine
CID 162425317
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9195413

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide (CID 164622891) is 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide is CCOc1ccc(Oc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)nn3)CC2)cc1.
What is the InChIKey of 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is FUYKJGVYYSHANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O5S/c1-4-33-17-5-7-18(8-6-17)34-21-15-20(36(31,32)29(2)3)16-26-24(21)30-13-11-19(12-14-30)35-23-10-9-22(25)27-28-23/h5-10,15-16,19H,4,11-14H2,1-3H3.
What are the key properties of 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 534.04 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 164622891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).