methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate

C18H23ClN2O7S — CID 42982150

IUPACmethyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H23ClN2O7S/c1-27-18(24)13-6-9-21(10-7-13)16(22)12-28-17(23)5-8-20-29(25,26)15-4-2-3-14(19)11-15/h2-4,11,13,20H,5-10,12H2,1H3
InChIKeyQPURKRFHPBCWRV-UHFFFAOYSA-N
MW446.91 g/mol
LogP0.96
Rot. Bonds8

About methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate

methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate (PubChem CID 42982150) has the molecular formula C18H23ClN2O7S and a molecular weight of 446.91 g/mol. Its IUPAC name is methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate
PubChem CID42982150
Molecular FormulaC18H23ClN2O7S
Molecular Weight446.91 g/mol
Exact Mass446.09
IUPAC Namemethyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H23ClN2O7S/c1-27-18(24)13-6-9-21(10-7-13)16(22)12-28-17(23)5-8-20-29(25,26)15-4-2-3-14(19)11-15/h2-4,11,13,20H,5-10,12H2,1H3
InChIKeyQPURKRFHPBCWRV-UHFFFAOYSA-N
XLogP0.96
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 55347050
3-chloro-N-[3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 121140727
1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153894
methyl 1-[2-[1-(3-chlorophenyl)cyclohexanecarbonyl]oxyacetyl]piperidine-4-carboxylate
CID 55546439
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035928
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738879
ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
CID 8707727
methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 17435665
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42980604
ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
CID 126256730
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate (CID 42982150) is methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate?
The InChIKey is QPURKRFHPBCWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O7S/c1-27-18(24)13-6-9-21(10-7-13)16(22)12-28-17(23)5-8-20-29(25,26)15-4-2-3-14(19)11-15/h2-4,11,13,20H,5-10,12H2,1H3.
What are the key properties of methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate has a molecular weight of 446.91 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 42982150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).