cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone

C19H28N2O4S — CID 110347019

IUPACcyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H28N2O4S/c1-15-8-9-17(25-2)18(14-15)26(23,24)21-12-10-20(11-13-21)19(22)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3
InChIKeyVWDREBIWMIGNMM-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.42
Rot. Bonds4

About cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone

cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 110347019) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID110347019
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Namecyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H28N2O4S/c1-15-8-9-17(25-2)18(14-15)26(23,24)21-12-10-20(11-13-21)19(22)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3
InChIKeyVWDREBIWMIGNMM-UHFFFAOYSA-N
XLogP2.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347022
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
cyclobutyl-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818774
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 110818768
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 113005859
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818749
[4-(4-fluorophenyl)piperazin-1-yl]-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 41339357
(3R)-N-cyclohexyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302754
(4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 126392266
[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 8799910

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 110347019) is cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is VWDREBIWMIGNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-15-8-9-17(25-2)18(14-15)26(23,24)21-12-10-20(11-13-21)19(22)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3.
What are the key properties of cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 380.51 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 110347019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).