4-(2-chloro-4-fluorophenyl)sulfonylpiperidine

C11H13ClFNO2S — CID 170075092

IUPAC4-(2-chloro-4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1Cl)C1CCNCC1
InChIInChI=1S/C11H13ClFNO2S/c12-10-7-8(13)1-2-11(10)17(15,16)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyZWNVIZQCRCNVQM-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.00
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)sulfonylpiperidine

4-(2-chloro-4-fluorophenyl)sulfonylpiperidine (PubChem CID 170075092) has the molecular formula C11H13ClFNO2S and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)sulfonylpiperidine
PubChem CID170075092
Molecular FormulaC11H13ClFNO2S
Molecular Weight277.75 g/mol
Exact Mass277.03
IUPAC Name4-(2-chloro-4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1Cl)C1CCNCC1
InChIInChI=1S/C11H13ClFNO2S/c12-10-7-8(13)1-2-11(10)17(15,16)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyZWNVIZQCRCNVQM-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)sulfonylpyrrolidine
CID 118797295
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
4-(2-chlorophenyl)sulfonylazepane
CID 115070332
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
2-[(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrimidine
CID 141328638
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide
CID 114285118

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfonylpiperidine (CID 170075092) is 4-(2-chloro-4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)cc1Cl)C1CCNCC1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)sulfonylpiperidine?
The InChIKey is ZWNVIZQCRCNVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2S/c12-10-7-8(13)1-2-11(10)17(15,16)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2.
What are the key properties of 4-(2-chloro-4-fluorophenyl)sulfonylpiperidine?
4-(2-chloro-4-fluorophenyl)sulfonylpiperidine has a molecular weight of 277.75 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 170075092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).