1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine

C10H14ClF3N4O2S — CID 60746134

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1Cl
InChIInChI=1S/C10H14ClF3N4O2S/c1-16-7-15-9(8(16)11)21(19,20)18-4-2-17(3-5-18)6-10(12,13)14/h7H,2-6H2,1H3
InChIKeyLVXSOMXTYSJUEL-UHFFFAOYSA-N
MW346.76 g/mol
LogP0.94
Rot. Bonds3

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 60746134) has the molecular formula C10H14ClF3N4O2S and a molecular weight of 346.76 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID60746134
Molecular FormulaC10H14ClF3N4O2S
Molecular Weight346.76 g/mol
Exact Mass346.05
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1Cl
InChIInChI=1S/C10H14ClF3N4O2S/c1-16-7-15-9(8(16)11)21(19,20)18-4-2-17(3-5-18)6-10(12,13)14/h7H,2-6H2,1H3
InChIKeyLVXSOMXTYSJUEL-UHFFFAOYSA-N
XLogP0.94
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine (CID 60746134) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine is Cn1cnc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1Cl.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is LVXSOMXTYSJUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N4O2S/c1-16-7-15-9(8(16)11)21(19,20)18-4-2-17(3-5-18)6-10(12,13)14/h7H,2-6H2,1H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 346.76 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 60746134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).