cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

C17H22Cl2N2O3S — CID 24944972

IUPACcyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N2O3S/c18-14-10-15(19)12-16(11-14)25(23,24)21-8-6-20(7-9-21)17(22)13-4-2-1-3-5-13/h10-13H,1-9H2
InChIKeyQPSXJPGVOLOXMB-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.41
Rot. Bonds3

About cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 24944972) has the molecular formula C17H22Cl2N2O3S and a molecular weight of 405.35 g/mol. Its IUPAC name is cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID24944972
Molecular FormulaC17H22Cl2N2O3S
Molecular Weight405.35 g/mol
Exact Mass404.07
IUPAC Namecyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N2O3S/c18-14-10-15(19)12-16(11-14)25(23,24)21-8-6-20(7-9-21)17(22)13-4-2-1-3-5-13/h10-13H,1-9H2
InChIKeyQPSXJPGVOLOXMB-UHFFFAOYSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone (CID 24944972) is cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is QPSXJPGVOLOXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3S/c18-14-10-15(19)12-16(11-14)25(23,24)21-8-6-20(7-9-21)17(22)13-4-2-1-3-5-13/h10-13H,1-9H2.
What are the key properties of cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 405.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 24944972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).