1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine

C16H20Cl2N4O2S — CID 71788615

IUPAC1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(CCn3ccnc3)CC2)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N4O2S/c1-13-10-16(15(18)11-14(13)17)25(23,24)22-8-6-20(7-9-22)4-5-21-3-2-19-12-21/h2-3,10-12H,4-9H2,1H3
InChIKeyLPCQVGCUEVXCHI-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.50
Rot. Bonds5

About 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine

1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine (PubChem CID 71788615) has the molecular formula C16H20Cl2N4O2S and a molecular weight of 403.34 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
PubChem CID71788615
Molecular FormulaC16H20Cl2N4O2S
Molecular Weight403.34 g/mol
Exact Mass402.07
IUPAC Name1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(CCn3ccnc3)CC2)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N4O2S/c1-13-10-16(15(18)11-14(13)17)25(23,24)22-8-6-20(7-9-22)4-5-21-3-2-19-12-21/h2-3,10-12H,4-9H2,1H3
InChIKeyLPCQVGCUEVXCHI-UHFFFAOYSA-N
XLogP2.50
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine (CID 71788615) is 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine is Cc1cc(S(=O)(=O)N2CCN(CCn3ccnc3)CC2)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The InChIKey is LPCQVGCUEVXCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O2S/c1-13-10-16(15(18)11-14(13)17)25(23,24)22-8-6-20(7-9-22)4-5-21-3-2-19-12-21/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine has a molecular weight of 403.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine is sourced from PubChem (CID 71788615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).