[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone

C21H24ClN3O3S — CID 43067431

IUPAC[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O3S/c22-18-7-5-16(6-8-18)20-4-2-12-25(20)21(26)17-9-13-24(14-10-17)29(27,28)19-3-1-11-23-15-19/h1,3,5-8,11,15,17,20H,2,4,9-10,12-14H2
InChIKeyZXYRSXGGLYMEDW-UHFFFAOYSA-N
MW433.96 g/mol
LogP3.50
Rot. Bonds4

About [2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone

[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 43067431) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is [2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
PubChem CID43067431
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O3S/c22-18-7-5-16(6-8-18)20-4-2-12-25(20)21(26)17-9-13-24(14-10-17)29(27,28)19-3-1-11-23-15-19/h1,3,5-8,11,15,17,20H,2,4,9-10,12-14H2
InChIKeyZXYRSXGGLYMEDW-UHFFFAOYSA-N
XLogP3.50
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071922
(4-cyclopentylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 3240878
[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 32847814
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
[2-(4-chlorophenyl)azepan-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 126769241
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293701
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55807191
N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 122175043
(2,6-dimethylmorpholin-4-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46407466
(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46602664

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone (CID 43067431) is [2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is ZXYRSXGGLYMEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c22-18-7-5-16(6-8-18)20-4-2-12-25(20)21(26)17-9-13-24(14-10-17)29(27,28)19-3-1-11-23-15-19/h1,3,5-8,11,15,17,20H,2,4,9-10,12-14H2.
What are the key properties of [2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone?
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 433.96 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 43067431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).