[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

C15H19ClN2O4S — CID 5091965

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h3-6,14H,1-2,7-11H2
InChIKeySUOVENHCDDTQLA-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.35
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 5091965) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID5091965
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h3-6,14H,1-2,7-11H2
InChIKeySUOVENHCDDTQLA-UHFFFAOYSA-N
XLogP1.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Phenylsulfonyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2970319
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2971829
4-[(4-Fluorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 17377878
4-{1-[(4-Chlorophenyl)sulfonyl]prolyl}morpholine
CID 2936597
1-(4-chlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 3153041
[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 16348559
N-[2-(3-chlorobenzenesulfonamido)ethyl]oxolane-2-carboxamide
CID 42953680
{1-[(4-Chlorophenyl)sulfonyl]pyrrolidin-2-yl}(2,6-dimethylmorpholin-4-yl)methanone
CID 2998548
[4-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 3386907
4-[(2,5-Difluorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 6471020
N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide
CID 6489648
[2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717282

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 5091965) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is SUOVENHCDDTQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h3-6,14H,1-2,7-11H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 358.85 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 5091965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).