cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

C17H24N2O4S — CID 110818032

IUPACcyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C17H24N2O4S/c1-23-15-7-4-8-16(13-15)24(21,22)19-11-9-18(10-12-19)17(20)14-5-2-3-6-14/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3
InChIKeyVZIBXTNXZBNBIA-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.72
Rot. Bonds4

About cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 110818032) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID110818032
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Namecyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C17H24N2O4S/c1-23-15-7-4-8-16(13-15)24(21,22)19-11-9-18(10-12-19)17(20)14-5-2-3-6-14/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3
InChIKeyVZIBXTNXZBNBIA-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124505554
cyclobutyl-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799404
[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 61113905
1-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797804
2-ethyl-1-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110818097
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
cyclobutyl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 8924343
cyclobutyl-[4-(4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799397
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 8699978
4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811229
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 110818032) is cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1cccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is VZIBXTNXZBNBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-23-15-7-4-8-16(13-15)24(21,22)19-11-9-18(10-12-19)17(20)14-5-2-3-6-14/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3.
What are the key properties of cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 352.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 110818032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).