imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C15H18N4O3S — CID 4784720

IUPACimidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)n3ccnc3)CC2)cc1
InChIInChI=1S/C15H18N4O3S/c1-13-2-4-14(5-3-13)23(21,22)19-10-8-17(9-11-19)15(20)18-7-6-16-12-18/h2-7,12H,8-11H2,1H3
InChIKeyCGMLTJMWUKAXEG-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.17
Rot. Bonds2

About imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 4784720) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Nameimidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID4784720
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Nameimidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)n3ccnc3)CC2)cc1
InChIInChI=1S/C15H18N4O3S/c1-13-2-4-14(5-3-13)23(21,22)19-10-8-17(9-11-19)15(20)18-7-6-16-12-18/h2-7,12H,8-11H2,1H3
InChIKeyCGMLTJMWUKAXEG-UHFFFAOYSA-N
XLogP1.17
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 4784720) is imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)n3ccnc3)CC2)cc1.
What is the InChIKey of imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is CGMLTJMWUKAXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-13-2-4-14(5-3-13)23(21,22)19-10-8-17(9-11-19)15(20)18-7-6-16-12-18/h2-7,12H,8-11H2,1H3.
What are the key properties of imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 334.40 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 4784720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).