(4-piperidin-1-ylphenyl)methanesulfonyl chloride

C12H16ClNO2S — CID 117437268

IUPAC(4-piperidin-1-ylphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H16ClNO2S/c13-17(15,16)10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChIKeyJYVODJJWQQXLNJ-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.75
Rot. Bonds3

About (4-piperidin-1-ylphenyl)methanesulfonyl chloride

(4-piperidin-1-ylphenyl)methanesulfonyl chloride (PubChem CID 117437268) has the molecular formula C12H16ClNO2S and a molecular weight of 273.79 g/mol. Its IUPAC name is (4-piperidin-1-ylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-piperidin-1-ylphenyl)methanesulfonyl chloride
PubChem CID117437268
Molecular FormulaC12H16ClNO2S
Molecular Weight273.79 g/mol
Exact Mass273.06
IUPAC Name(4-piperidin-1-ylphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H16ClNO2S/c13-17(15,16)10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChIKeyJYVODJJWQQXLNJ-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine
CID 168512260
1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512776
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
CID 113079021
1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide
CID 16891200
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
4-chloro-1-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168688729
N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
[5-oxo-1-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676592
1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide
CID 16890576
4-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 168512730
1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-piperidin-1-ylphenyl)methanesulfonyl chloride (CID 117437268) is (4-piperidin-1-ylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-piperidin-1-ylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-piperidin-1-ylphenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of (4-piperidin-1-ylphenyl)methanesulfonyl chloride?
The InChIKey is JYVODJJWQQXLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-17(15,16)10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-10H2.
What are the key properties of (4-piperidin-1-ylphenyl)methanesulfonyl chloride?
(4-piperidin-1-ylphenyl)methanesulfonyl chloride has a molecular weight of 273.79 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117437268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).