1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine

C14H21ClN2O2S — CID 6465434

IUPAC1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-4-16-5-7-17(8-6-16)20(18,19)14-10-11(2)13(15)9-12(14)3/h9-10H,4-8H2,1-3H3
InChIKeyDQLWOBWRHRFNRN-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.28
Rot. Bonds3

About 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine

1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine (PubChem CID 6465434) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine
PubChem CID6465434
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-4-16-5-7-17(8-6-16)20(18,19)14-10-11(2)13(15)9-12(14)3/h9-10H,4-8H2,1-3H3
InChIKeyDQLWOBWRHRFNRN-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine (CID 6465434) is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1.
What is the InChIKey of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine?
The InChIKey is DQLWOBWRHRFNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-4-16-5-7-17(8-6-16)20(18,19)14-10-11(2)13(15)9-12(14)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine?
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine has a molecular weight of 316.85 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 6465434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).