1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine

C22H24N4O2S — CID 2814415

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine
SMILESCc1nc(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cn1C
InChIInChI=1S/C22H24N4O2S/c1-16-23-21(15-24(16)2)29(27,28)26-13-11-25(12-14-26)22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-10,15,22H,11-14H2,1-2H3
InChIKeyMLUMXKRBSGKSFW-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.80
Rot. Bonds3

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine

1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine (PubChem CID 2814415) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine
PubChem CID2814415
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine
SMILESCc1nc(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cn1C
InChIInChI=1S/C22H24N4O2S/c1-16-23-21(15-24(16)2)29(27,28)26-13-11-25(12-14-26)22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-10,15,22H,11-14H2,1-2H3
InChIKeyMLUMXKRBSGKSFW-UHFFFAOYSA-N
XLogP2.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine (CID 2814415) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine is Cc1nc(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine?
The InChIKey is MLUMXKRBSGKSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-23-21(15-24(16)2)29(27,28)26-13-11-25(12-14-26)22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-10,15,22H,11-14H2,1-2H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine has a molecular weight of 408.53 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine is sourced from PubChem (CID 2814415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).