1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

C15H19ClN4O2S — CID 20958603

IUPAC1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C15H19ClN4O2S/c1-12-3-4-13(16)9-14(12)19-5-7-20(8-6-19)23(21,22)15-10-18(2)11-17-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyARLONNQDSORTEU-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.89
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (PubChem CID 20958603) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
PubChem CID20958603
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C15H19ClN4O2S/c1-12-3-4-13(16)9-14(12)19-5-7-20(8-6-19)23(21,22)15-10-18(2)11-17-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyARLONNQDSORTEU-UHFFFAOYSA-N
XLogP1.89
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (CID 20958603) is 1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cn(C)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is ARLONNQDSORTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c1-12-3-4-13(16)9-14(12)19-5-7-20(8-6-19)23(21,22)15-10-18(2)11-17-15/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 354.86 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 20958603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).