3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide

C18H21F2N3O4S2 — CID 100653397

IUPAC3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1cccc(F)c1
InChIInChI=1S/C18H21F2N3O4S2/c19-15-3-1-5-17(13-15)28(24,25)21-7-8-22-9-11-23(12-10-22)29(26,27)18-6-2-4-16(20)14-18/h1-6,13-14,21H,7-12H2
InChIKeyQBSYSWYAHJOUPQ-UHFFFAOYSA-N
MW445.51 g/mol
LogP1.25
Rot. Bonds7

About 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide

3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 100653397) has the molecular formula C18H21F2N3O4S2 and a molecular weight of 445.51 g/mol. Its IUPAC name is 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID100653397
Molecular FormulaC18H21F2N3O4S2
Molecular Weight445.51 g/mol
Exact Mass445.09
IUPAC Name3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1cccc(F)c1
InChIInChI=1S/C18H21F2N3O4S2/c19-15-3-1-5-17(13-15)28(24,25)21-7-8-22-9-11-23(12-10-22)29(26,27)18-6-2-4-16(20)14-18/h1-6,13-14,21H,7-12H2
InChIKeyQBSYSWYAHJOUPQ-UHFFFAOYSA-N
XLogP1.25
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide 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

3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8966713
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3,4-difluoro-N-[3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 24546937
2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8966684
3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266845
3-(2-pyrrolidin-1-ylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958196
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3-fluorobenzenesulfonamide
CID 21092396

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide (CID 100653397) is 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is QBSYSWYAHJOUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O4S2/c19-15-3-1-5-17(13-15)28(24,25)21-7-8-22-9-11-23(12-10-22)29(26,27)18-6-2-4-16(20)14-18/h1-6,13-14,21H,7-12H2.
What are the key properties of 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide?
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 445.51 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 100653397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).