[4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone

C15H21N3O3S — CID 701243

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O3S/c19-15(16-8-4-5-9-16)17-10-12-18(13-11-17)22(20,21)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKeyHHKQVEGZVVKHOO-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.21
Rot. Bonds2

About [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone

[4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 701243) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID701243
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O3S/c19-15(16-8-4-5-9-16)17-10-12-18(13-11-17)22(20,21)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKeyHHKQVEGZVVKHOO-UHFFFAOYSA-N
XLogP1.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 891761
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
F1415-0142
CID 326579
4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 715059
N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2985919
Pyrrolidin-1-yl(4-tosylpiperazin-1-yl)methanone
CID 849899
N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 2928101
N,N-diethyl-4-(phenylsulfonyl)piperazine-1-carboxamide
CID 2928233
[4-(Benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone
CID 2929432
[5-Methyl-3-(phenylsulfonyl)imidazolidin-1-yl](morpholin-4-yl)methanone
CID 6498818
3-Benzenesulfonyl-2-methyl-imidazolidine-1-carboxylic acid dimethylamide
CID 6498839
N,N-dimethyl-3-(phenylsulfonyl)-2-(propan-2-yl)imidazolidine-1-carboxamide
CID 6498843

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone (CID 701243) is [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HHKQVEGZVVKHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-15(16-8-4-5-9-16)17-10-12-18(13-11-17)22(20,21)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 323.42 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 701243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).