[3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone

C20H25ClN4O4S — CID 46354970

IUPAC[3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H25ClN4O4S/c21-15-6-8-17(9-7-15)30(27,28)14-18-22-19(29-23-18)20(26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h6-9,16H,1-5,10-14H2
InChIKeyUIBRELGHMMSYSP-UHFFFAOYSA-N
MW452.96 g/mol
LogP2.79
Rot. Bonds5

About [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone

[3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone (PubChem CID 46354970) has the molecular formula C20H25ClN4O4S and a molecular weight of 452.96 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone
PubChem CID46354970
Molecular FormulaC20H25ClN4O4S
Molecular Weight452.96 g/mol
Exact Mass452.13
IUPAC Name[3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H25ClN4O4S/c21-15-6-8-17(9-7-15)30(27,28)14-18-22-19(29-23-18)20(26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h6-9,16H,1-5,10-14H2
InChIKeyUIBRELGHMMSYSP-UHFFFAOYSA-N
XLogP2.79
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]methanone
CID 22579327
[3-[2-(4-chlorophenyl)sulfonylethyl]-1,2,4-oxadiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53133834
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 3593661
ethyl 1-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazole-5-carbonyl]piperidine-4-carboxylate
CID 22579326
3-(benzenesulfonylmethyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 22579368
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 46354995
3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide
CID 22579394
(4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53175169
3-[(4-chlorophenyl)sulfonylmethyl]-N-[(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide
CID 2743730
[3-[2-(benzenesulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53133732
(4-chlorophenyl)-(4-cyclobutyl-1,4-diazepan-1-yl)methanone;hydrochloride
CID 162320465
3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-imidazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 5300724

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone (CID 46354970) is [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone is O=C(c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is UIBRELGHMMSYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S/c21-15-6-8-17(9-7-15)30(27,28)14-18-22-19(29-23-18)20(26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h6-9,16H,1-5,10-14H2.
What are the key properties of [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
[3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone has a molecular weight of 452.96 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 46354970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).