(2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine

C25H25N5O2S — CID 59324466

IUPAC(2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine
SMILESO=S(=O)(c1nnn(-c2ccccc2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C25H25N5O2S/c31-33(32,29-17-16-26-19-23(29)18-20-10-4-1-5-11-20)25-24(21-12-6-2-7-13-21)30(28-27-25)22-14-8-3-9-15-22/h1-15,23,26H,16-19H2/t23-/m1/s1
InChIKeyDFZSRAFPDYPASB-HSZRJFAPSA-N
MW459.58 g/mol
LogP3.14
Rot. Bonds6

About (2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine

(2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine (PubChem CID 59324466) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is (2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine
PubChem CID59324466
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name(2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine
SMILESO=S(=O)(c1nnn(-c2ccccc2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C25H25N5O2S/c31-33(32,29-17-16-26-19-23(29)18-20-10-4-1-5-11-20)25-24(21-12-6-2-7-13-21)30(28-27-25)22-14-8-3-9-15-22/h1-15,23,26H,16-19H2/t23-/m1/s1
InChIKeyDFZSRAFPDYPASB-HSZRJFAPSA-N
XLogP3.14
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine?
The IUPAC name of (2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine (CID 59324466) is (2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for (2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine?
The canonical SMILES for (2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine is O=S(=O)(c1nnn(-c2ccccc2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine?
The InChIKey is DFZSRAFPDYPASB-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25N5O2S/c31-33(32,29-17-16-26-19-23(29)18-20-10-4-1-5-11-20)25-24(21-12-6-2-7-13-21)30(28-27-25)22-14-8-3-9-15-22/h1-15,23,26H,16-19H2/t23-/m1/s1.
What are the key properties of (2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine?
(2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine has a molecular weight of 459.58 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 59324466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).