1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene

C12H13F3O3S — CID 67054918

IUPAC1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
SMILESCOC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H13F3O3S/c1-18-9-6-11(7-9)19(16,17)10-4-2-3-8(5-10)12(13,14)15/h2-5,9,11H,6-7H2,1H3
InChIKeyKDRVSZCILPMWEB-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.66
Rot. Bonds3

About 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene

1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene (PubChem CID 67054918) has the molecular formula C12H13F3O3S and a molecular weight of 294.29 g/mol. Its IUPAC name is 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
PubChem CID67054918
Molecular FormulaC12H13F3O3S
Molecular Weight294.29 g/mol
Exact Mass294.05
IUPAC Name1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
SMILESCOC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H13F3O3S/c1-18-9-6-11(7-9)19(16,17)10-4-2-3-8(5-10)12(13,14)15/h2-5,9,11H,6-7H2,1H3
InChIKeyKDRVSZCILPMWEB-UHFFFAOYSA-N
XLogP2.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
4,4-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]pentan-2-one
CID 160564942
N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64722840
ethyl 4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxylate
CID 123587350
1-(3-fluoro-5-methoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]propan-1-one
CID 153186496
4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90592055
potassium [3-(trifluoromethyl)phenyl]sulfonylazanide
CID 131721326
2-(5-chloro-3-pyridinyl)-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
CID 162197775
2-[4-(trifluoromethyl)phenyl]-5-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]-1H-imidazole
CID 88933161
2-[4-(4-chlorophenoxy)phenyl]-1-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]ethanone
CID 147840898
2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64644682
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene (CID 67054918) is 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene is COC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene?
The InChIKey is KDRVSZCILPMWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3S/c1-18-9-6-11(7-9)19(16,17)10-4-2-3-8(5-10)12(13,14)15/h2-5,9,11H,6-7H2,1H3.
What are the key properties of 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene?
1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene has a molecular weight of 294.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 67054918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).