2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone

C19H21NO3S — CID 71901972

IUPAC2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(C(c1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H21NO3S/c21-19(20-14-8-3-9-15-20)18(16-10-4-1-5-11-16)24(22,23)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyRMDVTFYNCJGCLA-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.21
Rot. Bonds4

About 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone

2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 71901972) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone
PubChem CID71901972
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(C(c1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H21NO3S/c21-19(20-14-8-3-9-15-20)18(16-10-4-1-5-11-16)24(22,23)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyRMDVTFYNCJGCLA-UHFFFAOYSA-N
XLogP3.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Imrecoxib
CID 11682175
1-(Morpholin-4-yl)-2-phenyl-2-(phenylsulfanyl)ethanone
CID 2886349
1-(4-Fluorophenyl)-2-[4-(phenylsulfonyl)-1-piperidinyl]-ethanone
CID 9885279
N-ethyl-N-[1-[3-(1-methyl-4-piperidyl)-3-phenyl-propyl]-4-piperidyl]-2-(4-methylsulfonylphenyl)acetamide
CID 3011725
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
CID 10871642
4-Benzenesulfonyl-1-phenethyl-piperidine
CID 10991121
2-(4-Benzenesulfonyl-piperidin-1-yl)-1-(2,4-difluoro-phenyl)-ethanone
CID 44387740
4-Benzenesulfonyl-N,N-diethyl-benzamide
CID 823600
N-ethyl-N-[1-[3-(4-methyl-1-piperidyl)-3-phenyl-propyl]-4-piperidyl]-2-(4-methylsulfonylphenyl)acetamide
CID 3011722
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N-butyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2886275
N,N-diethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2889554

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone (CID 71901972) is 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone is O=C(C(c1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is RMDVTFYNCJGCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-19(20-14-8-3-9-15-20)18(16-10-4-1-5-11-16)24(22,23)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2.
What are the key properties of 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone?
2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 343.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 71901972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).