2-piperidin-4-ylbenzenesulfonyl chloride

C11H14ClNO2S — CID 19811017

IUPAC2-piperidin-4-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1C1CCNCC1
InChIInChI=1S/C11H14ClNO2S/c12-16(14,15)11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKeyHBININPIEXMIDB-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.08
Rot. Bonds2

About 2-piperidin-4-ylbenzenesulfonyl chloride

2-piperidin-4-ylbenzenesulfonyl chloride (PubChem CID 19811017) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-piperidin-4-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-piperidin-4-ylbenzenesulfonyl chloride
PubChem CID19811017
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name2-piperidin-4-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1C1CCNCC1
InChIInChI=1S/C11H14ClNO2S/c12-16(14,15)11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKeyHBININPIEXMIDB-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 801435
1-((4-Isopropylphenyl)sulfonyl)piperidine
CID 767405
4-Aminoethylbenzenesulfonyl fluoride hydrochloride
CID 16667735
3-(3-(Methylsulfonyl)phenyl)piperidine
CID 10890006
1-(4-(Propan-2-yl)benzenesulfonyl)piperazine
CID 2398130
[2-(Piperidine-1-sulfonyl)phenyl]methanamine hydrochloride
CID 45792222
4-tetrahydro-1H-pyrrol-3-yl-1-{[2-(trifluoromethyl)phenyl]sulfonyl}piperidine
CID 91910155
p-Toluenesulfonate piperidinium
CID 57350464
Piperidine, 4-methylbenzenesulfonate (1:1)
CID 166984
1-[4-(Butan-2-yl)benzenesulfonyl]piperazine hydrochloride
CID 42917371
[1-(Benzenesulfonyl)piperidin-4-yl]methanamine hydrochloride
CID 47002537
4-methyl-N-(piperidin-3-ylmethyl)benzene-1-sulfonamide hydrochloride
CID 47003116

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylbenzenesulfonyl chloride?
The IUPAC name of 2-piperidin-4-ylbenzenesulfonyl chloride (CID 19811017) is 2-piperidin-4-ylbenzenesulfonyl chloride.
What is the SMILES notation for 2-piperidin-4-ylbenzenesulfonyl chloride?
The canonical SMILES for 2-piperidin-4-ylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylbenzenesulfonyl chloride?
The InChIKey is HBININPIEXMIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-16(14,15)11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2.
What are the key properties of 2-piperidin-4-ylbenzenesulfonyl chloride?
2-piperidin-4-ylbenzenesulfonyl chloride has a molecular weight of 259.76 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylbenzenesulfonyl chloride is sourced from PubChem (CID 19811017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).