N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide

C20H25ClN4O4S — CID 46490174

IUPACN-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide
SMILESCN(CC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C20H25ClN4O4S/c1-23(30(27,28)19-3-2-8-22-15-19)16-20(26)25-11-9-24(10-12-25)13-14-29-18-6-4-17(21)5-7-18/h2-8,15H,9-14,16H2,1H3
InChIKeyFGYYDBTYEAAJJA-UHFFFAOYSA-N
MW452.96 g/mol
LogP1.58
Rot. Bonds8

About N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide

N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide (PubChem CID 46490174) has the molecular formula C20H25ClN4O4S and a molecular weight of 452.96 g/mol. Its IUPAC name is N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide
PubChem CID46490174
Molecular FormulaC20H25ClN4O4S
Molecular Weight452.96 g/mol
Exact Mass452.13
IUPAC NameN-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide
SMILESCN(CC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C20H25ClN4O4S/c1-23(30(27,28)19-3-2-8-22-15-19)16-20(26)25-11-9-24(10-12-25)13-14-29-18-6-4-17(21)5-7-18/h2-8,15H,9-14,16H2,1H3
InChIKeyFGYYDBTYEAAJJA-UHFFFAOYSA-N
XLogP1.58
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 55956101
N-methyl-N-[2-oxo-2-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethyl]pyridine-3-sulfonamide
CID 55666815
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 119414940
4-ethoxy-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 3163384
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 8683207
1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 30007560
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-cyclopentylsulfonylethanone
CID 78884804
4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one
CID 120564268
2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid
CID 120527570
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 120569880
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide (CID 46490174) is N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide is CN(CC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is FGYYDBTYEAAJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S/c1-23(30(27,28)19-3-2-8-22-15-19)16-20(26)25-11-9-24(10-12-25)13-14-29-18-6-4-17(21)5-7-18/h2-8,15H,9-14,16H2,1H3.
What are the key properties of N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide?
N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 452.96 g/mol, XLogP of 1.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 46490174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).