2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide

C18H19BrFN3O3S — CID 3238030

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H19BrFN3O3S/c19-14-1-7-17(8-2-14)27(25,26)23-11-9-22(10-12-23)13-18(24)21-16-5-3-15(20)4-6-16/h1-8H,9-13H2,(H,21,24)
InChIKeyVVQYTXOPCJUIGO-UHFFFAOYSA-N
MW456.34 g/mol
LogP2.53
Rot. Bonds5

About 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 3238030) has the molecular formula C18H19BrFN3O3S and a molecular weight of 456.34 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID3238030
Molecular FormulaC18H19BrFN3O3S
Molecular Weight456.34 g/mol
Exact Mass455.03
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H19BrFN3O3S/c19-14-1-7-17(8-2-14)27(25,26)23-11-9-22(10-12-23)13-18(24)21-16-5-3-15(20)4-6-16/h1-8H,9-13H2,(H,21,24)
InChIKeyVVQYTXOPCJUIGO-UHFFFAOYSA-N
XLogP2.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide 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 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 3238030) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is VVQYTXOPCJUIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O3S/c19-14-1-7-17(8-2-14)27(25,26)23-11-9-22(10-12-23)13-18(24)21-16-5-3-15(20)4-6-16/h1-8H,9-13H2,(H,21,24).
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 456.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3238030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).