1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine

C21H21FN2O2S — CID 6734618

IUPAC1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H21FN2O2S/c22-20-6-3-7-21(15-20)27(25,26)24-12-10-23(11-13-24)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2
InChIKeyQDVWBFJWVRYBRV-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.49
Rot. Bonds4

About 1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine

1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine (PubChem CID 6734618) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
PubChem CID6734618
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H21FN2O2S/c22-20-6-3-7-21(15-20)27(25,26)24-12-10-23(11-13-24)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2
InChIKeyQDVWBFJWVRYBRV-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

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
CID 163331829
1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 2902367
1-(3-fluorophenyl)sulfonyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 31774817
1-[(6-chloro-3-pyridinyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 31035968
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 17023784
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine (CID 6734618) is 1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine is O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine?
The InChIKey is QDVWBFJWVRYBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c22-20-6-3-7-21(15-20)27(25,26)24-12-10-23(11-13-24)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine?
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine 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-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine is sourced from PubChem (CID 6734618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).