cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone

C27H30N2O3S — CID 42625371

IUPACcyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1c1ccccc1
InChIInChI=1S/C27H30N2O3S/c30-27(23-13-5-2-6-14-23)29-19-18-28(20-25(29)22-11-3-1-4-12-22)33(31,32)26-17-9-15-21-10-7-8-16-24(21)26/h1,3-4,7-12,15-17,23,25H,2,5-6,13-14,18-20H2
InChIKeyKWSTWVVXSGUPPV-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.99
Rot. Bonds4

About cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone

cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 42625371) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone
PubChem CID42625371
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC Namecyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1c1ccccc1
InChIInChI=1S/C27H30N2O3S/c30-27(23-13-5-2-6-14-23)29-19-18-28(20-25(29)22-11-3-1-4-12-22)33(31,32)26-17-9-15-21-10-7-8-16-24(21)26/h1,3-4,7-12,15-17,23,25H,2,5-6,13-14,18-20H2
InChIKeyKWSTWVVXSGUPPV-UHFFFAOYSA-N
XLogP4.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone (CID 42625371) is cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone is O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1c1ccccc1.
What is the InChIKey of cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is KWSTWVVXSGUPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3S/c30-27(23-13-5-2-6-14-23)29-19-18-28(20-25(29)22-11-3-1-4-12-22)33(31,32)26-17-9-15-21-10-7-8-16-24(21)26/h1,3-4,7-12,15-17,23,25H,2,5-6,13-14,18-20H2.
What are the key properties of cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone?
cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 462.62 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-naphthalen-1-ylsulfonyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 42625371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).