[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone

C16H21ClN2O3S — CID 4260346

IUPAC[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C16H21ClN2O3S/c17-13-6-8-14(9-7-13)23(21,22)19-12-4-5-15(19)16(20)18-10-2-1-3-11-18/h6-9,15H,1-5,10-12H2
InChIKeyHDLCQZIXNRJFFK-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.51
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone

[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 4260346) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID4260346
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C16H21ClN2O3S/c17-13-6-8-14(9-7-13)23(21,22)19-12-4-5-15(19)16(20)18-10-2-1-3-11-18/h6-9,15H,1-5,10-12H2
InChIKeyHDLCQZIXNRJFFK-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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
3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 4963713
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4782818
4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 804278
4-chloro-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 934904
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 2106881
4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2214119
4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2222041
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-cyclohexylglycyl}piperazine-1-carboxylate
CID 2925163
[1-(4-Chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 2930578
1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
CID 2998565
1-(4-Chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 3101201

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 4260346) is [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone is O=C(C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is HDLCQZIXNRJFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c17-13-6-8-14(9-7-13)23(21,22)19-12-4-5-15(19)16(20)18-10-2-1-3-11-18/h6-9,15H,1-5,10-12H2.
What are the key properties of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 356.88 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 4260346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).