cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone

C23H28N2O3S — CID 24944973

IUPACcyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C23H28N2O3S/c26-23(20-10-5-2-6-11-20)24-14-16-25(17-15-24)29(27,28)22-13-7-12-21(18-22)19-8-3-1-4-9-19/h1,3-4,7-9,12-13,18,20H,2,5-6,10-11,14-17H2
InChIKeyPLDPMGKDBWCPST-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.77
Rot. Bonds4

About cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone

cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 24944973) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID24944973
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Namecyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C23H28N2O3S/c26-23(20-10-5-2-6-11-20)24-14-16-25(17-15-24)29(27,28)22-13-7-12-21(18-22)19-8-3-1-4-9-19/h1,3-4,7-9,12-13,18,20H,2,5-6,10-11,14-17H2
InChIKeyPLDPMGKDBWCPST-UHFFFAOYSA-N
XLogP3.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone (CID 24944973) is cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is PLDPMGKDBWCPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c26-23(20-10-5-2-6-11-20)24-14-16-25(17-15-24)29(27,28)22-13-7-12-21(18-22)19-8-3-1-4-9-19/h1,3-4,7-9,12-13,18,20H,2,5-6,10-11,14-17H2.
What are the key properties of cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 412.56 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3-phenylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 24944973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).