1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol

C10H9ClF3NO3S — CID 63105321

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol
SMILESO=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC(O)C1
InChIInChI=1S/C10H9ClF3NO3S/c11-8-2-1-6(10(12,13)14)3-9(8)19(17,18)15-4-7(16)5-15/h1-3,7,16H,4-5H2
InChIKeyHPROANBWHOFOJX-UHFFFAOYSA-N
MW315.70 g/mol
LogP1.72
Rot. Bonds2

About 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol

1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol (PubChem CID 63105321) has the molecular formula C10H9ClF3NO3S and a molecular weight of 315.70 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol
PubChem CID63105321
Molecular FormulaC10H9ClF3NO3S
Molecular Weight315.70 g/mol
Exact Mass314.99
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol
SMILESO=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC(O)C1
InChIInChI=1S/C10H9ClF3NO3S/c11-8-2-1-6(10(12,13)14)3-9(8)19(17,18)15-4-7(16)5-15/h1-3,7,16H,4-5H2
InChIKeyHPROANBWHOFOJX-UHFFFAOYSA-N
XLogP1.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.70
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962428
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine chloride
CID 53351945
[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 24622280
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-cyclohexa-2,5-dien-1-ylpiperidine
CID 174517761
N-tert-butyl-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 4848895
1-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977513
(2R)-2-amino-1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one
CID 119265739
[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 24603010
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 119987431
1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol
CID 78924731
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-cyclohexyloxyethanone
CID 55770478

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol (CID 63105321) is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol is O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC(O)C1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol?
The InChIKey is HPROANBWHOFOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO3S/c11-8-2-1-6(10(12,13)14)3-9(8)19(17,18)15-4-7(16)5-15/h1-3,7,16H,4-5H2.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol?
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol has a molecular weight of 315.70 g/mol, XLogP of 1.72, 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-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol is sourced from PubChem (CID 63105321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).