1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine

C21H20Cl2N2O2S — CID 1282318

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C21H20Cl2N2O2S/c22-20-6-3-7-21(23)19(20)15-24-10-12-25(13-11-24)28(26,27)18-9-8-16-4-1-2-5-17(16)14-18/h1-9,14H,10-13,15H2
InChIKeyDKCXZMWVENTKRR-UHFFFAOYSA-N
MW435.38 g/mol
LogP4.65
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine

1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 1282318) has the molecular formula C21H20Cl2N2O2S and a molecular weight of 435.38 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID1282318
Molecular FormulaC21H20Cl2N2O2S
Molecular Weight435.38 g/mol
Exact Mass434.06
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C21H20Cl2N2O2S/c22-20-6-3-7-21(23)19(20)15-24-10-12-25(13-11-24)28(26,27)18-9-8-16-4-1-2-5-17(16)14-18/h1-9,14H,10-13,15H2
InChIKeyDKCXZMWVENTKRR-UHFFFAOYSA-N
XLogP4.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 17023784
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 2902367
4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide
CID 47147117
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium
CID 3390322
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747347
1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine
CID 8692259
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine (CID 1282318) is 1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is DKCXZMWVENTKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2S/c22-20-6-3-7-21(23)19(20)15-24-10-12-25(13-11-24)28(26,27)18-9-8-16-4-1-2-5-17(16)14-18/h1-9,14H,10-13,15H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine?
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 435.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 1282318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).