(2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine

C33H32N4O2S — CID 59325080

IUPAC(2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cnn(-c2ccccc2)c1-c1ccccc1)N1CCN(Cc2ccccc2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C33H32N4O2S/c38-40(39,32-24-34-37(30-19-11-4-12-20-30)33(32)29-17-9-3-10-18-29)36-22-21-35(25-28-15-7-2-8-16-28)26-31(36)23-27-13-5-1-6-14-27/h1-20,24,31H,21-23,25-26H2/t31-/m1/s1
InChIKeyMSFABWDUAXMBKC-WJOKGBTCSA-N
MW548.71 g/mol
LogP5.66
Rot. Bonds8

About (2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine

(2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 59325080) has the molecular formula C33H32N4O2S and a molecular weight of 548.71 g/mol. Its IUPAC name is (2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine
PubChem CID59325080
Molecular FormulaC33H32N4O2S
Molecular Weight548.71 g/mol
Exact Mass548.22
IUPAC Name(2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cnn(-c2ccccc2)c1-c1ccccc1)N1CCN(Cc2ccccc2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C33H32N4O2S/c38-40(39,32-24-34-37(30-19-11-4-12-20-30)33(32)29-17-9-3-10-18-29)36-22-21-35(25-28-15-7-2-8-16-28)26-31(36)23-27-13-5-1-6-14-27/h1-20,24,31H,21-23,25-26H2/t31-/m1/s1
InChIKeyMSFABWDUAXMBKC-WJOKGBTCSA-N
XLogP5.66
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.71
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of (2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine (CID 59325080) is (2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for (2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for (2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine is O=S(=O)(c1cnn(-c2ccccc2)c1-c1ccccc1)N1CCN(Cc2ccccc2)C[C@H]1Cc1ccccc1.
What is the InChIKey of (2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is MSFABWDUAXMBKC-WJOKGBTCSA-N. The full InChI is InChI=1S/C33H32N4O2S/c38-40(39,32-24-34-37(30-19-11-4-12-20-30)33(32)29-17-9-3-10-18-29)36-22-21-35(25-28-15-7-2-8-16-28)26-31(36)23-27-13-5-1-6-14-27/h1-20,24,31H,21-23,25-26H2/t31-/m1/s1.
What are the key properties of (2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine?
(2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 548.71 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dibenzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 59325080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).