cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

C20H24N2O3S — CID 24945401

IUPACcyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(C1CCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H24N2O3S/c23-20(17-7-1-2-8-17)21-12-14-22(15-13-21)26(24,25)19-11-5-9-16-6-3-4-10-18(16)19/h3-6,9-11,17H,1-2,7-8,12-15H2
InChIKeyAQBFWQCFJYRCTD-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.86
Rot. Bonds3

About cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 24945401) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
PubChem CID24945401
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Namecyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(C1CCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H24N2O3S/c23-20(17-7-1-2-8-17)21-12-14-22(15-13-21)26(24,25)19-11-5-9-16-6-3-4-10-18(16)19/h3-6,9-11,17H,1-2,7-8,12-15H2
InChIKeyAQBFWQCFJYRCTD-UHFFFAOYSA-N
XLogP2.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110364822
[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110799419
cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
CID 4021529
1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
CID 114533548
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
cyclopropyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 26947408
cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370793
N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide
CID 51071217
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone
CID 55986294
1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (CID 24945401) is cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is O=C(C1CCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is AQBFWQCFJYRCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(17-7-1-2-8-17)21-12-14-22(15-13-21)26(24,25)19-11-5-9-16-6-3-4-10-18(16)19/h3-6,9-11,17H,1-2,7-8,12-15H2.
What are the key properties of cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 372.49 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 24945401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).