cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

C22H28N2O3S — CID 42625787

IUPACcyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCC1CN(S(=O)(=O)c2cccc3ccccc23)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H28N2O3S/c1-17-16-23(14-15-24(17)22(25)19-9-3-2-4-10-19)28(26,27)21-13-7-11-18-8-5-6-12-20(18)21/h5-8,11-13,17,19H,2-4,9-10,14-16H2,1H3
InChIKeyRRMJGXWUBNPGIF-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.64
Rot. Bonds3

About cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 42625787) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
PubChem CID42625787
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Namecyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCC1CN(S(=O)(=O)c2cccc3ccccc23)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H28N2O3S/c1-17-16-23(14-15-24(17)22(25)19-9-3-2-4-10-19)28(26,27)21-13-7-11-18-8-5-6-12-20(18)21/h5-8,11-13,17,19H,2-4,9-10,14-16H2,1H3
InChIKeyRRMJGXWUBNPGIF-UHFFFAOYSA-N
XLogP3.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (CID 42625787) is cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is CC1CN(S(=O)(=O)c2cccc3ccccc23)CCN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is RRMJGXWUBNPGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17-16-23(14-15-24(17)22(25)19-9-3-2-4-10-19)28(26,27)21-13-7-11-18-8-5-6-12-20(18)21/h5-8,11-13,17,19H,2-4,9-10,14-16H2,1H3.
What are the key properties of cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 400.54 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 42625787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).