1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol

C10H12FNO3S — CID 63105517

IUPAC1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol
SMILESCc1ccc(F)c(S(=O)(=O)N2CC(O)C2)c1
InChIInChI=1S/C10H12FNO3S/c1-7-2-3-9(11)10(4-7)16(14,15)12-5-8(13)6-12/h2-4,8,13H,5-6H2,1H3
InChIKeyAVXYYDRRLGDPRE-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.50
Rot. Bonds2

About 1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol

1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol (PubChem CID 63105517) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol
PubChem CID63105517
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol
SMILESCc1ccc(F)c(S(=O)(=O)N2CC(O)C2)c1
InChIInChI=1S/C10H12FNO3S/c1-7-2-3-9(11)10(4-7)16(14,15)12-5-8(13)6-12/h2-4,8,13H,5-6H2,1H3
InChIKeyAVXYYDRRLGDPRE-UHFFFAOYSA-N
XLogP0.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methylphenyl)sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 63721388
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine
CID 47811921
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
(4aS,8aR)-6-(2-fluoro-5-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129482098
[4-[[(3S)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
CID 97122596
[4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
CID 97122597
(4aS,8aS)-6-(2-fluoro-5-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129482096
3-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-4-fluorobenzoic acid
CID 106668302
(3S,4S)-1-(2-fluoro-4-methylphenyl)sulfonyl-4-methylpyrrolidine-3-carboxamide
CID 128977313
1-(2-fluoro-5-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 52588474

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol (CID 63105517) is 1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol is Cc1ccc(F)c(S(=O)(=O)N2CC(O)C2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol?
The InChIKey is AVXYYDRRLGDPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-7-2-3-9(11)10(4-7)16(14,15)12-5-8(13)6-12/h2-4,8,13H,5-6H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol?
1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol has a molecular weight of 245.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol is sourced from PubChem (CID 63105517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).