1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine

C21H21ClN2O2S — CID 9184964

IUPAC1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C21H21ClN2O2S/c22-20-10-3-4-11-21(20)27(25,26)24-14-12-23(13-15-24)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11H,12-16H2
InChIKeyWYIDGQYQLATLMD-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.00
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine

1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine (PubChem CID 9184964) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
PubChem CID9184964
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C21H21ClN2O2S/c22-20-10-3-4-11-21(20)27(25,26)24-14-12-23(13-15-24)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11H,12-16H2
InChIKeyWYIDGQYQLATLMD-UHFFFAOYSA-N
XLogP4.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 22208056
1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391386
8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
CID 55625872
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556
4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 32717171
1-(2-chlorophenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 38749302
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 22207937
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
CID 22207943
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane
CID 39657963

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine (CID 9184964) is 1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine is O=S(=O)(c1ccccc1Cl)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine?
The InChIKey is WYIDGQYQLATLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c22-20-10-3-4-11-21(20)27(25,26)24-14-12-23(13-15-24)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11H,12-16H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine?
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine has a molecular weight of 400.93 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 9184964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).