1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol

C20H22FNO3S — CID 46890322

IUPAC1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CN1CC(O)C1
InChIInChI=1S/C20H22FNO3S/c21-16-5-2-6-18(10-16)26(24,25)19-7-8-20-14(9-19)3-1-4-15(20)11-22-12-17(23)13-22/h2,5-10,15,17,23H,1,3-4,11-13H2/t15-/m0/s1
InChIKeyFWFLTFAOXVWWON-HNNXBMFYSA-N
MW375.46 g/mol
LogP2.75
Rot. Bonds4

About 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol

1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol (PubChem CID 46890322) has the molecular formula C20H22FNO3S and a molecular weight of 375.46 g/mol. Its IUPAC name is 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol
PubChem CID46890322
Molecular FormulaC20H22FNO3S
Molecular Weight375.46 g/mol
Exact Mass375.13
IUPAC Name1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CN1CC(O)C1
InChIInChI=1S/C20H22FNO3S/c21-16-5-2-6-18(10-16)26(24,25)19-7-8-20-14(9-19)3-1-4-15(20)11-22-12-17(23)13-22/h2,5-10,15,17,23H,1,3-4,11-13H2/t15-/m0/s1
InChIKeyFWFLTFAOXVWWON-HNNXBMFYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol with MolForge

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Related Compounds

2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
CID 46889350
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-methoxyethanamine
CID 46889351
N-[(R)-6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-2-hydroxy-acetamide
CID 46890192
2-[[(1R)-8-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
CID 46890324
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide
CID 46890191
1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
CID 23634519
N-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-methoxyethanamine
CID 24850421
2-[[5-Fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
CID 24850426
2-[[8-Fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
CID 24850465
1-[[6-(3-Fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol
CID 24850552
2-{3-[4-(3-Fluoro-benzenesulfonyl)-2-methyl-phenyl]-pyrrolidin-1-yl}-ethanol
CID 24984813
2-[4-[5-(Trifluoromethylsulfonyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene]piperidin-1-yl]ethanol
CID 54459566

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol (CID 46890322) is 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol is O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CN1CC(O)C1.
What is the InChIKey of 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol?
The InChIKey is FWFLTFAOXVWWON-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c21-16-5-2-6-18(10-16)26(24,25)19-7-8-20-14(9-19)3-1-4-15(20)11-22-12-17(23)13-22/h2,5-10,15,17,23H,1,3-4,11-13H2/t15-/m0/s1.
What are the key properties of 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol?
1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol has a molecular weight of 375.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 46890322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).