methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate

C15H19Cl2N3O5S — CID 46435299

IUPACmethyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H19Cl2N3O5S/c1-18(15(22)25-2)10-13(21)19-6-8-20(9-7-19)26(23,24)14-11(16)4-3-5-12(14)17/h3-5H,6-10H2,1-2H3
InChIKeyJKRZMFNENXCABU-UHFFFAOYSA-N
MW424.31 g/mol
LogP1.52
Rot. Bonds4

About methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate

methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate (PubChem CID 46435299) has the molecular formula C15H19Cl2N3O5S and a molecular weight of 424.31 g/mol. Its IUPAC name is methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate
PubChem CID46435299
Molecular FormulaC15H19Cl2N3O5S
Molecular Weight424.31 g/mol
Exact Mass423.04
IUPAC Namemethyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H19Cl2N3O5S/c1-18(15(22)25-2)10-13(21)19-6-8-20(9-7-19)26(23,24)14-11(16)4-3-5-12(14)17/h3-5H,6-10H2,1-2H3
InChIKeyJKRZMFNENXCABU-UHFFFAOYSA-N
XLogP1.52
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methyl)amino]-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 55409398
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(N-ethylanilino)ethanone
CID 55437561
2-amino-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119270072
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 26181380
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483
N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 35677124
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 30885271
2-[cyclopentyl(methyl)amino]-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 112804371
(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
CID 46482252
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650065

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate (CID 46435299) is methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate is COC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate?
The InChIKey is JKRZMFNENXCABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O5S/c1-18(15(22)25-2)10-13(21)19-6-8-20(9-7-19)26(23,24)14-11(16)4-3-5-12(14)17/h3-5H,6-10H2,1-2H3.
What are the key properties of methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate?
methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 424.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 46435299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).