[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone

C25H24N4O3S2 — CID 24687962

IUPAC[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccs4)nn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24N4O3S2/c1-19-9-11-21(12-10-19)34(31,32)28-15-13-27(14-16-28)25(30)23-18-22(24-8-5-17-33-24)26-29(23)20-6-3-2-4-7-20/h2-12,17-18H,13-16H2,1H3
InChIKeyQLSABRYMBOIDNV-UHFFFAOYSA-N
MW492.63 g/mol
LogP4.06
Rot. Bonds5

About [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone (PubChem CID 24687962) has the molecular formula C25H24N4O3S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
PubChem CID24687962
Molecular FormulaC25H24N4O3S2
Molecular Weight492.63 g/mol
Exact Mass492.13
IUPAC Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccs4)nn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24N4O3S2/c1-19-9-11-21(12-10-19)34(31,32)28-15-13-27(14-16-28)25(30)23-18-22(24-8-5-17-33-24)26-29(23)20-6-3-2-4-7-20/h2-12,17-18H,13-16H2,1H3
InChIKeyQLSABRYMBOIDNV-UHFFFAOYSA-N
XLogP4.06
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone (CID 24687962) is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccs4)nn3-c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The InChIKey is QLSABRYMBOIDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S2/c1-19-9-11-21(12-10-19)34(31,32)28-15-13-27(14-16-28)25(30)23-18-22(24-8-5-17-33-24)26-29(23)20-6-3-2-4-7-20/h2-12,17-18H,13-16H2,1H3.
What are the key properties of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone has a molecular weight of 492.63 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 24687962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).