[2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol

C13H16FNO3S — CID 102919788

IUPAC[2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol
SMILESO=S(=O)(c1cc(F)ccc1CO)N1CC2CCC1C2
InChIInChI=1S/C13H16FNO3S/c14-11-3-2-10(8-16)13(6-11)19(17,18)15-7-9-1-4-12(15)5-9/h2-3,6,9,12,16H,1,4-5,7-8H2
InChIKeyGVORTOCBSZIUGH-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.49
Rot. Bonds3

About [2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol

[2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol (PubChem CID 102919788) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is [2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol
PubChem CID102919788
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name[2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol
SMILESO=S(=O)(c1cc(F)ccc1CO)N1CC2CCC1C2
InChIInChI=1S/C13H16FNO3S/c14-11-3-2-10(8-16)13(6-11)19(17,18)15-7-9-1-4-12(15)5-9/h2-3,6,9,12,16H,1,4-5,7-8H2
InChIKeyGVORTOCBSZIUGH-UHFFFAOYSA-N
XLogP1.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
CID 103541161
(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methanol
CID 102919669
2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-5-chloroaniline
CID 54980911
2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-chloroaniline
CID 54981206
[4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol
CID 106317053
(1S,5R)-6-(4-fluoro-2-methylphenyl)sulfonyl-3-methyl-3,6-diazabicyclo[3.2.2]nonane
CID 72903992
3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4,5-dimethylbenzoic acid
CID 61068457
4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-N-propylaniline
CID 62158432
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 102919775
5-(2,5-difluorophenyl)sulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
CID 122273016
1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-2,3,5-trimethylpiperidine
CID 102920193
1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-3-methylpyrrolidine
CID 102920059

Frequently Asked Questions

What is the IUPAC name of [2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol?
The IUPAC name of [2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol (CID 102919788) is [2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol.
What is the SMILES notation for [2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol?
The canonical SMILES for [2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol is O=S(=O)(c1cc(F)ccc1CO)N1CC2CCC1C2.
What is the InChIKey of [2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol?
The InChIKey is GVORTOCBSZIUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c14-11-3-2-10(8-16)13(6-11)19(17,18)15-7-9-1-4-12(15)5-9/h2-3,6,9,12,16H,1,4-5,7-8H2.
What are the key properties of [2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol?
[2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol has a molecular weight of 285.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol is sourced from PubChem (CID 102919788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).