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

C21H26N2O3S — CID 3816991

IUPACcyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H26N2O3S/c24-21(18-7-2-1-3-8-18)22-12-14-23(15-13-22)27(25,26)20-11-10-17-6-4-5-9-19(17)16-20/h4-6,9-11,16,18H,1-3,7-8,12-15H2
InChIKeyHJUKQFCXOYBYRN-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.25
Rot. Bonds3

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

cyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 3816991) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is cyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID3816991
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Namecyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H26N2O3S/c24-21(18-7-2-1-3-8-18)22-12-14-23(15-13-22)27(25,26)20-11-10-17-6-4-5-9-19(17)16-20/h4-6,9-11,16,18H,1-3,7-8,12-15H2
InChIKeyHJUKQFCXOYBYRN-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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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of cyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 3816991) is cyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of cyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is HJUKQFCXOYBYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-21(18-7-2-1-3-8-18)22-12-14-23(15-13-22)27(25,26)20-11-10-17-6-4-5-9-19(17)16-20/h4-6,9-11,16,18H,1-3,7-8,12-15H2.
What are the key properties of cyclohexyl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
cyclohexyl-(4-naphthalen-2-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-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 3816991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).