N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine

C18H22ClN3O4S — CID 9195413

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCN(CCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C18H22ClN3O4S/c1-21(8-13-26-16-4-2-15(19)3-5-16)18-7-6-17(14-20-18)27(23,24)22-9-11-25-12-10-22/h2-7,14H,8-13H2,1H3
InChIKeySVKUJTQIKFLOMJ-UHFFFAOYSA-N
MW411.91 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 9195413) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID9195413
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCN(CCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C18H22ClN3O4S/c1-21(8-13-26-16-4-2-15(19)3-5-16)18-7-6-17(14-20-18)27(23,24)22-9-11-25-12-10-22/h2-7,14H,8-13H2,1H3
InChIKeySVKUJTQIKFLOMJ-UHFFFAOYSA-N
XLogP2.27
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
1-(4-Chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2850208
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
CID 118527019
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 146613768
1-((2,5-Dimethoxyphenyl)sulfonyl)-4-(2-pyridyl)piperazine
CID 1091562
Ethyl 2-[[(4-methoxyphenyl)sulfonyl](2-pyridinyl)amino]acetate
CID 2765461
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807
N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 9114041
6-[4-[2-(4-Chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 9203843
4-[[6-(4-Chlorophenoxy)-3-pyridinyl]sulfonyl]morpholine
CID 24981897
6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164609128
6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164622891

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 9195413) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine is CN(CCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is SVKUJTQIKFLOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-21(8-13-26-16-4-2-15(19)3-5-16)18-7-6-17(14-20-18)27(23,24)22-9-11-25-12-10-22/h2-7,14H,8-13H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 411.91 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 9195413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).