1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol

C10H11ClFNO3S — CID 105400409

IUPAC1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol
SMILESCC1(O)CN(S(=O)(=O)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C10H11ClFNO3S/c1-10(14)5-13(6-10)17(15,16)9-4-7(12)2-3-8(9)11/h2-4,14H,5-6H2,1H3
InChIKeyAYRRIFGITFSWOQ-UHFFFAOYSA-N
MW279.72 g/mol
LogP1.23
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol

1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol (PubChem CID 105400409) has the molecular formula C10H11ClFNO3S and a molecular weight of 279.72 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol
PubChem CID105400409
Molecular FormulaC10H11ClFNO3S
Molecular Weight279.72 g/mol
Exact Mass279.01
IUPAC Name1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol
SMILESCC1(O)CN(S(=O)(=O)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C10H11ClFNO3S/c1-10(14)5-13(6-10)17(15,16)9-4-7(12)2-3-8(9)11/h2-4,14H,5-6H2,1H3
InChIKeyAYRRIFGITFSWOQ-UHFFFAOYSA-N
XLogP1.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872362
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 107212732
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871460
2-[4-(2-chloro-5-fluorophenyl)sulfonylpiperazin-1-yl]acetic acid
CID 105399674
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 103990791
6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 166237221
1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585521
5-chloro-2-fluoro-3-(3-hydroxy-3-methylazetidin-1-yl)sulfonylbenzoic acid
CID 107215635
1-(2-chloro-5-fluorophenyl)sulfonyl-3-ethylpiperidin-4-one
CID 105400243

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol (CID 105400409) is 1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol is CC1(O)CN(S(=O)(=O)c2cc(F)ccc2Cl)C1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol?
The InChIKey is AYRRIFGITFSWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3S/c1-10(14)5-13(6-10)17(15,16)9-4-7(12)2-3-8(9)11/h2-4,14H,5-6H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol?
1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol has a molecular weight of 279.72 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol is sourced from PubChem (CID 105400409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).