[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone

C21H29BrN2O3S — CID 55905635

IUPAC[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCCC1C1CCCC1
InChIInChI=1S/C21H29BrN2O3S/c22-18-9-11-19(12-10-18)28(26,27)23-13-3-7-17(15-23)21(25)24-14-4-8-20(24)16-5-1-2-6-16/h9-12,16-17,20H,1-8,13-15H2
InChIKeySJXJPEVQRLAMBT-UHFFFAOYSA-N
MW469.45 g/mol
LogP4.03
Rot. Bonds4

About [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone

[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone (PubChem CID 55905635) has the molecular formula C21H29BrN2O3S and a molecular weight of 469.45 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone
PubChem CID55905635
Molecular FormulaC21H29BrN2O3S
Molecular Weight469.45 g/mol
Exact Mass468.11
IUPAC Name[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCCC1C1CCCC1
InChIInChI=1S/C21H29BrN2O3S/c22-18-9-11-19(12-10-18)28(26,27)23-13-3-7-17(15-23)21(25)24-14-4-8-20(24)16-5-1-2-6-16/h9-12,16-17,20H,1-8,13-15H2
InChIKeySJXJPEVQRLAMBT-UHFFFAOYSA-N
XLogP4.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
1-(4-bromophenyl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041493
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 55806170
(4-benzylpiperidin-1-yl)-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 126394359
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 11619039
ethyl (3R)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxylate
CID 1345678
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861824
[(2R)-2-methylpiperidin-1-yl]-[(3R)-1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 6550021
1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 24606231
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198
(3R)-1-(4-bromophenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 126380948

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone (CID 55905635) is [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone is O=C(C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCCC1C1CCCC1.
What is the InChIKey of [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone?
The InChIKey is SJXJPEVQRLAMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrN2O3S/c22-18-9-11-19(12-10-18)28(26,27)23-13-3-7-17(15-23)21(25)24-14-4-8-20(24)16-5-1-2-6-16/h9-12,16-17,20H,1-8,13-15H2.
What are the key properties of [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone?
[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone has a molecular weight of 469.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-cyclopentylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 55905635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).