1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol

C14H18ClFN2O3S — CID 139017970

IUPAC1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol
SMILESO=S(=O)(c1ccc(F)cc1Cl)N1CCC(N2CC(O)C2)CC1
InChIInChI=1S/C14H18ClFN2O3S/c15-13-7-10(16)1-2-14(13)22(20,21)18-5-3-11(4-6-18)17-8-12(19)9-17/h1-2,7,11-12,19H,3-6,8-9H2
InChIKeyKKLCQJOODQYVJF-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.31
Rot. Bonds3

About 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol

1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol (PubChem CID 139017970) has the molecular formula C14H18ClFN2O3S and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol
PubChem CID139017970
Molecular FormulaC14H18ClFN2O3S
Molecular Weight348.83 g/mol
Exact Mass348.07
IUPAC Name1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol
SMILESO=S(=O)(c1ccc(F)cc1Cl)N1CCC(N2CC(O)C2)CC1
InChIInChI=1S/C14H18ClFN2O3S/c15-13-7-10(16)1-2-14(13)22(20,21)18-5-3-11(4-6-18)17-8-12(19)9-17/h1-2,7,11-12,19H,3-6,8-9H2
InChIKeyKKLCQJOODQYVJF-UHFFFAOYSA-N
XLogP1.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]azepane
CID 86900548
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120582967
(1R,5S)-8-(2-chloro-4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-one
CID 124741429
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol (CID 139017970) is 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol is O=S(=O)(c1ccc(F)cc1Cl)N1CCC(N2CC(O)C2)CC1.
What is the InChIKey of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol?
The InChIKey is KKLCQJOODQYVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3S/c15-13-7-10(16)1-2-14(13)22(20,21)18-5-3-11(4-6-18)17-8-12(19)9-17/h1-2,7,11-12,19H,3-6,8-9H2.
What are the key properties of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol?
1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol has a molecular weight of 348.83 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 139017970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).