1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one

C21H26N2O3S — CID 10200183

IUPAC1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one
SMILESO=C(CCCCc1ccccc1)N1CCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C21H26N2O3S/c24-21(15-8-7-12-19-10-3-1-4-11-19)22-16-9-17-23(22)27(25,26)18-20-13-5-2-6-14-20/h1-6,10-11,13-14H,7-9,12,15-18H2
InChIKeyPYNWZIZTJACOCL-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.38
Rot. Bonds8

About 1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one

1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one (PubChem CID 10200183) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one
PubChem CID10200183
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one
SMILESO=C(CCCCc1ccccc1)N1CCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C21H26N2O3S/c24-21(15-8-7-12-19-10-3-1-4-11-19)22-16-9-17-23(22)27(25,26)18-20-13-5-2-6-14-20/h1-6,10-11,13-14H,7-9,12,15-18H2
InChIKeyPYNWZIZTJACOCL-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfonylpyrazolidine-1-carboxylic acid
CID 18470079
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
5-phenyl-1-(2-sulfanylideneazepan-1-yl)pentan-1-one
CID 102154946
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
1-[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-5-phenylpentan-1-one
CID 90587464
1,9-diphenylnonan-5-one
CID 23467830
15-phenylpentadecanoic acid
CID 2737151
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2S)-1-benzylsulfonyl-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 101173677
formyl 1-(6-phenylhexanoyl)pyrrolidine-2-carboxylate
CID 118553508
1-(4-benzylsulfonylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 9298890

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one?
The IUPAC name of 1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one (CID 10200183) is 1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one.
What is the SMILES notation for 1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one?
The canonical SMILES for 1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one is O=C(CCCCc1ccccc1)N1CCCN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one?
The InChIKey is PYNWZIZTJACOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-21(15-8-7-12-19-10-3-1-4-11-19)22-16-9-17-23(22)27(25,26)18-20-13-5-2-6-14-20/h1-6,10-11,13-14H,7-9,12,15-18H2.
What are the key properties of 1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one?
1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one has a molecular weight of 386.52 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfonylpyrazolidin-1-yl)-5-phenylpentan-1-one is sourced from PubChem (CID 10200183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).