3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol

C13H13FO4S — CID 134066412

IUPAC3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol
SMILESO=S(=O)(CC(O)CO)c1ccc(F)c2ccccc12
InChIInChI=1S/C13H13FO4S/c14-12-5-6-13(11-4-2-1-3-10(11)12)19(17,18)8-9(16)7-15/h1-6,9,15-16H,7-8H2
InChIKeyLAFURGINCHNXQX-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.11
Rot. Bonds4

About 3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol

3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol (PubChem CID 134066412) has the molecular formula C13H13FO4S and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol.

Molecular Properties

Compound Name3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol
PubChem CID134066412
Molecular FormulaC13H13FO4S
Molecular Weight284.31 g/mol
Exact Mass284.05
IUPAC Name3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol
SMILESO=S(=O)(CC(O)CO)c1ccc(F)c2ccccc12
InChIInChI=1S/C13H13FO4S/c14-12-5-6-13(11-4-2-1-3-10(11)12)19(17,18)8-9(16)7-15/h1-6,9,15-16H,7-8H2
InChIKeyLAFURGINCHNXQX-UHFFFAOYSA-N
XLogP1.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

10-Naphthalen-1-ylsulfonyldeca-2,8-diyn-1-ol
CID 44326841
4-(1-Naphthylsulfonyl)-2-butyn-1-ol
CID 361306
Ethanol, 2-(1-naphthalenylthio)-
CID 11321673
2-Naphthalen-1-ylsulfinylethanol
CID 134994715
(Z)-8-naphthalen-2-ylsulfonyloct-4-en-2,6-diyn-1-ol
CID 44373861
1-Naphthalen-1-ylthiolan-1-ium-3-ol;trifluoromethanesulfonate
CID 17781390
1-Naphthalen-1-ylthiolan-1-ium-3-ol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87985867
1-Fluoro-4-propan-2-ylsulfonylnaphthalene
CID 135209645
2,2-Difluoro-2-naphthalen-2-ylsulfonylethanol
CID 141527899
CID 142919338
CID 142919338
Hydroxymethyl-methyl-naphthalen-1-ylsulfanium;trifluoromethanesulfonate
CID 162022439
4-(2-Naphthylsulfonyl)-2-butyn-1-ol
CID 361305

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol?
The IUPAC name of 3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol (CID 134066412) is 3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol.
What is the SMILES notation for 3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol?
The canonical SMILES for 3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol is O=S(=O)(CC(O)CO)c1ccc(F)c2ccccc12.
What is the InChIKey of 3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol?
The InChIKey is LAFURGINCHNXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO4S/c14-12-5-6-13(11-4-2-1-3-10(11)12)19(17,18)8-9(16)7-15/h1-6,9,15-16H,7-8H2.
What are the key properties of 3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol?
3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol has a molecular weight of 284.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoronaphthalen-1-yl)sulfonylpropane-1,2-diol is sourced from PubChem (CID 134066412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).