phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate

C18H17Cl2NO4S — CID 2668352

IUPACphenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(Oc1ccccc1)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H17Cl2NO4S/c19-15-7-4-8-16(17(15)20)26(23,24)21-11-9-13(10-12-21)18(22)25-14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyIJKZMWPPUYNGBC-UHFFFAOYSA-N
MW414.31 g/mol
LogP4.00
Rot. Bonds4

About phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate

phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 2668352) has the molecular formula C18H17Cl2NO4S and a molecular weight of 414.31 g/mol. Its IUPAC name is phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namephenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID2668352
Molecular FormulaC18H17Cl2NO4S
Molecular Weight414.31 g/mol
Exact Mass413.03
IUPAC Namephenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(Oc1ccccc1)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H17Cl2NO4S/c19-15-7-4-8-16(17(15)20)26(23,24)21-11-9-13(10-12-21)18(22)25-14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyIJKZMWPPUYNGBC-UHFFFAOYSA-N
XLogP4.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate 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

(3,4-dimethylphenyl) 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 2683402
phenacyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 2560081
(4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 26361230
(4-methylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 26097310
(4-methoxycarbonylphenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 30279484
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
(4-phenylmethoxyphenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 4784120
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
1-azabicyclo[2.2.2]octane;phenyl cyclopropanecarboxylate
CID 174407037
N-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987433
1-[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596925

Frequently Asked Questions

What is the IUPAC name of phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate (CID 2668352) is phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate is O=C(Oc1ccccc1)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is IJKZMWPPUYNGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4S/c19-15-7-4-8-16(17(15)20)26(23,24)21-11-9-13(10-12-21)18(22)25-14-5-2-1-3-6-14/h1-8,13H,9-12H2.
What are the key properties of phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 414.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2668352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).