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

C18H26N4O4S — CID 90534054

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(CCn3ccnc3C)CC2)c1
InChIInChI=1S/C18H26N4O4S/c1-15-19-6-7-21(15)11-8-20-9-12-22(13-10-20)27(23,24)18-14-16(25-2)4-5-17(18)26-3/h4-7,14H,8-13H2,1-3H3
InChIKeyKKHNLRUTWRGOCW-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.22
Rot. Bonds7

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

1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine (PubChem CID 90534054) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
PubChem CID90534054
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(CCn3ccnc3C)CC2)c1
InChIInChI=1S/C18H26N4O4S/c1-15-19-6-7-21(15)11-8-20-9-12-22(13-10-20)27(23,24)18-14-16(25-2)4-5-17(18)26-3/h4-7,14H,8-13H2,1-3H3
InChIKeyKKHNLRUTWRGOCW-UHFFFAOYSA-N
XLogP1.22
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534067
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 8804090
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534092
1-(5-chloro-2-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534079
1-(4-tert-butylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534091
2-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43061554
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494347
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561393
1-(2,5-dimethoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 51307414
1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine
CID 3836701
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534071
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine (CID 90534054) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN(CCn3ccnc3C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The InChIKey is KKHNLRUTWRGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-15-19-6-7-21(15)11-8-20-9-12-22(13-10-20)27(23,24)18-14-16(25-2)4-5-17(18)26-3/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine has a molecular weight of 394.50 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 90534054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).