cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

C21H26N2O3S — CID 3868445

IUPACcyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C21H26N2O3S/c24-21(18-8-2-1-3-9-18)22-13-15-23(16-14-22)27(25,26)20-12-6-10-17-7-4-5-11-19(17)20/h4-7,10-12,18H,1-3,8-9,13-16H2
InChIKeyYCYPTKGWJASRLD-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.25
Rot. Bonds3

About cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 3868445) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
PubChem CID3868445
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Namecyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C21H26N2O3S/c24-21(18-8-2-1-3-9-18)22-13-15-23(16-14-22)27(25,26)20-12-6-10-17-7-4-5-11-19(17)20/h4-7,10-12,18H,1-3,8-9,13-16H2
InChIKeyYCYPTKGWJASRLD-UHFFFAOYSA-N
XLogP3.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexyl(3-(naphthalen-1-ylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 44582884
Cyclohexyl(2,2-dimethyl-4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 24944801
N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide
CID 2738666
(2-Fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 1151508
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
N-hydroxy-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 11848948
N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide
CID 11848949
Cyclohexyl(4-(3,5-dimethylphenylsulfonyl)piperazin-1-yl)methanone
CID 24944970
(4-(Biphenyl-3-ylsulfonyl)piperazin-1-yl)(cyclohexyl)methanone
CID 24944973
Cyclohexyl(4-(naphthalen-1-ylsulfonyl)-2-(trifluoromethyl)piperazin-1-yl)methanone
CID 24945068
cyclohexyl((2R,6S)-2,6-dimethyl-4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 44582883
1-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 4042358

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (CID 3868445) is cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is YCYPTKGWJASRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-21(18-8-2-1-3-9-18)22-13-15-23(16-14-22)27(25,26)20-12-6-10-17-7-4-5-11-19(17)20/h4-7,10-12,18H,1-3,8-9,13-16H2.
What are the key properties of cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 386.52 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 3868445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).