1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine

C14H18N4O2S — CID 14664372

IUPAC1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C14H18N4O2S/c1-16-8-10-18(11-9-16)21(19,20)14-4-2-13(3-5-14)17-7-6-15-12-17/h2-7,12H,8-11H2,1H3
InChIKeyHRJWJGWWUIFBBA-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.81
Rot. Bonds3

About 1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine

1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 14664372) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine
PubChem CID14664372
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C14H18N4O2S/c1-16-8-10-18(11-9-16)21(19,20)14-4-2-13(3-5-14)17-7-6-15-12-17/h2-7,12H,8-11H2,1H3
InChIKeyHRJWJGWWUIFBBA-UHFFFAOYSA-N
XLogP0.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride
CID 141011983
[4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 22628274
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine
CID 90539599
4-imidazol-1-yl-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700031
1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 30395373
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 9292872
1-(benzenesulfonyl)-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 100645070
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine (CID 14664372) is 1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is HRJWJGWWUIFBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-16-8-10-18(11-9-16)21(19,20)14-4-2-13(3-5-14)17-7-6-15-12-17/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine?
1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 306.39 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 14664372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).