[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate

C21H23ClN2O5S — CID 24980632

IUPAC[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C21H23ClN2O5S/c22-18-10-9-17(30(27,28)24-11-5-2-6-12-24)14-19(18)23-20(25)15-29-21(26)13-16-7-3-1-4-8-16/h1,3-4,7-10,14H,2,5-6,11-13,15H2,(H,23,25)
InChIKeyKYIPLEGZQGDXPM-UHFFFAOYSA-N
MW450.94 g/mol
LogP3.24
Rot. Bonds7

About [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate

[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate (PubChem CID 24980632) has the molecular formula C21H23ClN2O5S and a molecular weight of 450.94 g/mol. Its IUPAC name is [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
PubChem CID24980632
Molecular FormulaC21H23ClN2O5S
Molecular Weight450.94 g/mol
Exact Mass450.10
IUPAC Name[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C21H23ClN2O5S/c22-18-10-9-17(30(27,28)24-11-5-2-6-12-24)14-19(18)23-20(25)15-29-21(26)13-16-7-3-1-4-8-16/h1,3-4,7-10,14H,2,5-6,11-13,15H2,(H,23,25)
InChIKeyKYIPLEGZQGDXPM-UHFFFAOYSA-N
XLogP3.24
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.94
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3992685
N-(2-chlorophenyl)-4-(morpholinosulfonyl)benzamide
CID 1152895
2-(4-chlorophenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]acetamide
CID 1164400
[2-[2-Chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 3934416
[2-[2-Chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4151535
[2-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4235012
[2-[2-Chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 4414784
[2-[5-(Azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] benzoate
CID 4828867
[2-(2-Chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3,5-diaminobenzoate
CID 4836451
[2-[4-Chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-phenylacetate
CID 5024516
[2-[4-Chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 5038567
[2-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate
CID 5110382

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate (CID 24980632) is [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate is O=C(COC(=O)Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is KYIPLEGZQGDXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5S/c22-18-10-9-17(30(27,28)24-11-5-2-6-12-24)14-19(18)23-20(25)15-29-21(26)13-16-7-3-1-4-8-16/h1,3-4,7-10,14H,2,5-6,11-13,15H2,(H,23,25).
What are the key properties of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 450.94 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 24980632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).