ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate

C15H21ClN2O6S — CID 35202543

IUPACethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1
InChIInChI=1S/C15H21ClN2O6S/c1-4-24-15(19)17-5-7-18(8-6-17)25(20,21)14-10-12(22-2)11(16)9-13(14)23-3/h9-10H,4-8H2,1-3H3
InChIKeyCIAUZHLLUGMZKH-UHFFFAOYSA-N
MW392.86 g/mol
LogP1.82
Rot. Bonds5

About ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 35202543) has the molecular formula C15H21ClN2O6S and a molecular weight of 392.86 g/mol. Its IUPAC name is ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID35202543
Molecular FormulaC15H21ClN2O6S
Molecular Weight392.86 g/mol
Exact Mass392.08
IUPAC Nameethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1
InChIInChI=1S/C15H21ClN2O6S/c1-4-24-15(19)17-5-7-18(8-6-17)25(20,21)14-10-12(22-2)11(16)9-13(14)23-3/h9-10H,4-8H2,1-3H3
InChIKeyCIAUZHLLUGMZKH-UHFFFAOYSA-N
XLogP1.82
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 1085675
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6460333
ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818639
1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817224
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
ethyl 4-(2-chloro-5-nitrophenyl)sulfonylpiperazine-1-carboxylate
CID 4089047
ethyl 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 6472834
1-[4-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796584
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819
1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796597

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate (CID 35202543) is ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1.
What is the InChIKey of ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is CIAUZHLLUGMZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O6S/c1-4-24-15(19)17-5-7-18(8-6-17)25(20,21)14-10-12(22-2)11(16)9-13(14)23-3/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 392.86 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 35202543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).