4-[(4-Chlorophenyl)sulfonyl]piperidine (HCID 2761072)

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Basic information

Standard SMILES: O=S(=O)(c1ccc(Cl)cc1)C1CCNCC1
InChIKey: KZMZUOWQIRVCRK-UHFFFAOYSA-N
Molecular formula: C11H14ClNO2S
Average molar mass: 259.75 g/mol

Names & identifiers

Preferred name: 4-[(4-Chlorophenyl)sulfonyl]piperidine
IUPAC: 4-(4-chlorophenyl)sulfonylpiperidine

Names & synonyms

4-[(4-chlorophenyl)sulfonyl]piperidine4-((4-Chlorophenyl)sulfonyl)piperidine4-(4-chlorobenzenesulfonyl)piperidine4-(4-CHLORO-BENZENESULFONYL)-PIPERIDINE345660-48-2SCHEMBL2798239SCHEMBL4674685KZMZUOWQIRVCRK-UHFFFAOYSA-NAKOS022559604

Database identifiers

PubChem CID: 2761072

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 311

Related reactions

15 records

New reaction record

HRID 100952As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 106744As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 111150As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 151767As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 287810As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 805659As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1150257As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1540535As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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