2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

C18H21FN4O3S — CID 2991092

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H21FN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26)
InChIKeyBCDBLLVLEZOVIY-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.23
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2991092) has the molecular formula C18H21FN4O3S and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2991092
Molecular FormulaC18H21FN4O3S
Molecular Weight392.46 g/mol
Exact Mass392.13
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H21FN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26)
InChIKeyBCDBLLVLEZOVIY-UHFFFAOYSA-N
XLogP1.23
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 2991092) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is BCDBLLVLEZOVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2991092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).