N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C19H25ClN4O3S — CID 24508364

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(N(C)CCOc3cccc(Cl)c3)nc2)CC1
InChIInChI=1S/C19H25ClN4O3S/c1-22-8-10-24(11-9-22)28(25,26)18-6-7-19(21-15-18)23(2)12-13-27-17-5-3-4-16(20)14-17/h3-7,14-15H,8-13H2,1-2H3
InChIKeyKPOYEDGRVULLRL-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.19
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 24508364) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID24508364
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(N(C)CCOc3cccc(Cl)c3)nc2)CC1
InChIInChI=1S/C19H25ClN4O3S/c1-22-8-10-24(11-9-22)28(25,26)18-6-7-19(21-15-18)23(2)12-13-27-17-5-3-4-16(20)14-17/h3-7,14-15H,8-13H2,1-2H3
InChIKeyKPOYEDGRVULLRL-UHFFFAOYSA-N
XLogP2.19
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.19
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
1-[[6-(3-Chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 2539884
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 3639258
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridine-3-sulfonamide
CID 4835234
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 24508364) is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(N(C)CCOc3cccc(Cl)c3)nc2)CC1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is KPOYEDGRVULLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3S/c1-22-8-10-24(11-9-22)28(25,26)18-6-7-19(21-15-18)23(2)12-13-27-17-5-3-4-16(20)14-17/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 424.95 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 24508364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).