[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone

C16H21ClN2O3S — CID 3155582

IUPAC[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCC1
InChIInChI=1S/C16H21ClN2O3S/c17-14-3-5-15(6-4-14)23(21,22)19-11-7-13(8-12-19)16(20)18-9-1-2-10-18/h3-6,13H,1-2,7-12H2
InChIKeyZNSUZFUMRRYLMH-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.36
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 3155582) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID3155582
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCC1
InChIInChI=1S/C16H21ClN2O3S/c17-14-3-5-15(6-4-14)23(21,22)19-11-7-13(8-12-19)16(20)18-9-1-2-10-18/h3-6,13H,1-2,7-12H2
InChIKeyZNSUZFUMRRYLMH-UHFFFAOYSA-N
XLogP2.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4782818
2-Pyrrolidinone, 1-((4-chlorophenyl)sulfonyl)-
CID 667535
[1-(4-Chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 2930578
Azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 7999036
[1-(2,6-Dichlorophenyl)sulfonylpiperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 17533389
Azocan-1-yl-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 24980373
1-[(4-Chlorophenyl)sulfonyl]piperidine-4-carbohydrazide
CID 580731
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
CID 856925
4-Chloro-N-(3-(2-oxopyrrolidin-1-yl)propyl)benzenesulfonamide
CID 2361133
[1-(4-Chlorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3156746
[1-(2,6-Dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4788666

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 3155582) is [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZNSUZFUMRRYLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c17-14-3-5-15(6-4-14)23(21,22)19-11-7-13(8-12-19)16(20)18-9-1-2-10-18/h3-6,13H,1-2,7-12H2.
What are the key properties of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 356.88 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3155582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).