1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine

C21H21FN2O2S — CID 1342528

IUPAC1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN2O2S/c22-20-8-5-17(6-9-20)16-23-11-13-24(14-12-23)27(25,26)21-10-7-18-3-1-2-4-19(18)15-21/h1-10,15H,11-14,16H2
InChIKeyFUXOIAFVLJZVEM-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.49
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine

1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 1342528) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID1342528
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN2O2S/c22-20-8-5-17(6-9-20)16-23-11-13-24(14-12-23)27(25,26)21-10-7-18-3-1-2-4-19(18)15-21/h1-10,15H,11-14,16H2
InChIKeyFUXOIAFVLJZVEM-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine 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

1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 2902367
1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 17023784
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110398734
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1150416
1-[(4-fluorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 110398703
3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 1150418

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine (CID 1342528) is 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is FUXOIAFVLJZVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c22-20-8-5-17(6-9-20)16-23-11-13-24(14-12-23)27(25,26)21-10-7-18-3-1-2-4-19(18)15-21/h1-10,15H,11-14,16H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 384.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 1342528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).