1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine

C17H22Cl2N4O2S — CID 90534092

IUPAC1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(CCn3ccnc3C)CC2)c(Cl)cc1Cl
InChIInChI=1S/C17H22Cl2N4O2S/c1-13-11-17(16(19)12-15(13)18)26(24,25)23-9-6-21(7-10-23)5-8-22-4-3-20-14(22)2/h3-4,11-12H,5-10H2,1-2H3
InChIKeyYFTXILNXMBPOCS-UHFFFAOYSA-N
MW417.36 g/mol
LogP2.81
Rot. Bonds5

About 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine

1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine (PubChem CID 90534092) has the molecular formula C17H22Cl2N4O2S and a molecular weight of 417.36 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
PubChem CID90534092
Molecular FormulaC17H22Cl2N4O2S
Molecular Weight417.36 g/mol
Exact Mass416.08
IUPAC Name1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(CCn3ccnc3C)CC2)c(Cl)cc1Cl
InChIInChI=1S/C17H22Cl2N4O2S/c1-13-11-17(16(19)12-15(13)18)26(24,25)23-9-6-21(7-10-23)5-8-22-4-3-20-14(22)2/h3-4,11-12H,5-10H2,1-2H3
InChIKeyYFTXILNXMBPOCS-UHFFFAOYSA-N
XLogP2.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534079
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
CID 71788615
1-(4-tert-butylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534091
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534054
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534067
1-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 90534081
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534071
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine
CID 90494146
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
1-(3-chloro-2-methylphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561427
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine (CID 90534092) is 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine is Cc1cc(S(=O)(=O)N2CCN(CCn3ccnc3C)CC2)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The InChIKey is YFTXILNXMBPOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O2S/c1-13-11-17(16(19)12-15(13)18)26(24,25)23-9-6-21(7-10-23)5-8-22-4-3-20-14(22)2/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine has a molecular weight of 417.36 g/mol, XLogP of 2.81, 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-(2-methylimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 90534092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).