N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

C16H24FN3O3S — CID 9023316

IUPACN-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H24FN3O3S/c1-2-3-7-18-16(21)13-19-8-10-20(11-9-19)24(22,23)15-6-4-5-14(17)12-15/h4-6,12H,2-3,7-11,13H2,1H3,(H,18,21)
InChIKeyXCSMQPWOUFEXSX-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.05
Rot. Bonds7

About N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 9023316) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID9023316
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC NameN-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H24FN3O3S/c1-2-3-7-18-16(21)13-19-8-10-20(11-9-19)24(22,23)15-6-4-5-14(17)12-15/h4-6,12H,2-3,7-11,13H2,1H3,(H,18,21)
InChIKeyXCSMQPWOUFEXSX-UHFFFAOYSA-N
XLogP1.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 30172353
N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31372732
N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26630104
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
N-[(2-chlorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217730
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
3-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzenesulfonyl fluoride
CID 166407090
N-butyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperazin-1-yl]acetamide
CID 28533821
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-butylacetamide
CID 55354283
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 78781800
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide
CID 8693160

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 9023316) is N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is XCSMQPWOUFEXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-2-3-7-18-16(21)13-19-8-10-20(11-9-19)24(22,23)15-6-4-5-14(17)12-15/h4-6,12H,2-3,7-11,13H2,1H3,(H,18,21).
What are the key properties of N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 9023316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).