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

C20H22FNO3S — CID 24850552

IUPAC1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCCC2CN1CC(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
InChIKeyFWFLTFAOXVWWON-UHFFFAOYSA-N
MW375.46 g/mol
LogP2.75
Rot. Bonds4

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

1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol (PubChem CID 24850552) has the molecular formula C20H22FNO3S and a molecular weight of 375.46 g/mol. Its IUPAC name is 1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol
PubChem CID24850552
Molecular FormulaC20H22FNO3S
Molecular Weight375.46 g/mol
Exact Mass375.13
IUPAC Name1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCCC2CN1CC(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
InChIKeyFWFLTFAOXVWWON-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol (CID 24850552) is 1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol is O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCCC2CN1CC(O)C1.
What is the InChIKey of 1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol?
The InChIKey is FWFLTFAOXVWWON-UHFFFAOYSA-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.
What are the key properties of 1-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol?
1-[[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-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 24850552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).