ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate

C13H16Cl2N2O4S — CID 26947781

IUPACethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O4S/c1-2-21-13(18)16-6-8-17(9-7-16)22(19,20)11-5-3-4-10(14)12(11)15/h3-5H,2,6-9H2,1H3
InChIKeyLMDDJXLKFAKHGB-UHFFFAOYSA-N
MW367.25 g/mol
LogP2.46
Rot. Bonds3

About ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 26947781) has the molecular formula C13H16Cl2N2O4S and a molecular weight of 367.25 g/mol. Its IUPAC name is ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
PubChem CID26947781
Molecular FormulaC13H16Cl2N2O4S
Molecular Weight367.25 g/mol
Exact Mass366.02
IUPAC Nameethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O4S/c1-2-21-13(18)16-6-8-17(9-7-16)22(19,20)11-5-3-4-10(14)12(11)15/h3-5H,2,6-9H2,1H3
InChIKeyLMDDJXLKFAKHGB-UHFFFAOYSA-N
XLogP2.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 1085675
2-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119265778
3-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678970
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356
ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 35202543
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 27563167
ethyl 4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947786
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 55702670
ethyl 4-(4-chloro-3-sulfamoylphenyl)sulfonylpiperazine-1-carboxylate
CID 10070234
ethyl 4-(2-chloro-5-nitrophenyl)sulfonylpiperazine-1-carboxylate
CID 4089047
4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 34721841
ethyl 4-(2-bromo-4-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 55565612

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate (CID 26947781) is ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is LMDDJXLKFAKHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O4S/c1-2-21-13(18)16-6-8-17(9-7-16)22(19,20)11-5-3-4-10(14)12(11)15/h3-5H,2,6-9H2,1H3.
What are the key properties of ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 367.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 26947781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).