4-(4-Chlorophenylsulfonylmethyl)pyridine

HCID 23028643

Notes Reactions

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

CAS: 558462-62-7
Standard SMILES: O=S(=O)(Cc1ccncc1)c1ccc(Cl)cc1
InChIKey: LJKFDLNPUGPTEV-UHFFFAOYSA-N
Molecular formula: C12H10ClNO2S
Average molar mass: 267.73 g/mol
Monoisotopic mass: 267.0120774

Names & identifiers

Preferred name: 4-(4-Chlorophenylsulfonylmethyl)pyridine
IUPAC: 4-[(4-chlorophenyl)sulfonylmethyl]pyridine

Names & synonyms

558462-62-74-(4-Chlorophenylsulfonylmethyl)pyridineSCHEMBL1632268DTXSID10629903LJKFDLNPUGPTEV-UHFFFAOYSA-N4-[(4-Chlorobenzene-1-sulfonyl)methyl]pyridine

Database identifiers

CAS: 558462-62-7
PubChem CID: 23028643
DTXSID: DTXSID10629903

Properties

Computed structural propertiesFilling in

XLogP: 2.2
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 325

Related reactions

19 records

New reaction record

HRID 115054As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 144859As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 176280As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 697524As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 701753As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 748728As productuspto-grants-2008_07

HRID 748729As reactantuspto-grants-2008_07

HRID 748730As reactantuspto-grants-2008_07

Compound notes

Loading…