1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine

C27H26N4O2S — CID 2815519

IUPAC1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1c(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cnn1-c1ccccc1
InChIInChI=1S/C27H26N4O2S/c1-20-26(19-28-31(20)21-9-3-2-4-10-21)34(32,33)30-17-15-29(16-18-30)27-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27/h2-14,19,27H,15-18H2,1H3
InChIKeyASGRHDCEUSNETI-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.26
Rot. Bonds4

About 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine

1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 2815519) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
PubChem CID2815519
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC Name1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1c(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cnn1-c1ccccc1
InChIInChI=1S/C27H26N4O2S/c1-20-26(19-28-31(20)21-9-3-2-4-10-21)34(32,33)30-17-15-29(16-18-30)27-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27/h2-14,19,27H,15-18H2,1H3
InChIKeyASGRHDCEUSNETI-UHFFFAOYSA-N
XLogP4.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine (CID 2815519) is 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine is Cc1c(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cnn1-c1ccccc1.
What is the InChIKey of 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is ASGRHDCEUSNETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-20-26(19-28-31(20)21-9-3-2-4-10-21)34(32,33)30-17-15-29(16-18-30)27-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27/h2-14,19,27H,15-18H2,1H3.
What are the key properties of 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 470.60 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 2815519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).