[3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol

C12H17FN2O3S — CID 106529878

IUPAC[3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
SMILESCS(=O)(=O)N1CCN(c2cc(F)cc(CO)c2)CC1
InChIInChI=1S/C12H17FN2O3S/c1-19(17,18)15-4-2-14(3-5-15)12-7-10(9-16)6-11(13)8-12/h6-8,16H,2-5,9H2,1H3
InChIKeyWNBLQMBAFZJOND-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.40
Rot. Bonds3

About [3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol

[3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol (PubChem CID 106529878) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is [3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
PubChem CID106529878
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name[3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
SMILESCS(=O)(=O)N1CCN(c2cc(F)cc(CO)c2)CC1
InChIInChI=1S/C12H17FN2O3S/c1-19(17,18)15-4-2-14(3-5-15)12-7-10(9-16)6-11(13)8-12/h6-8,16H,2-5,9H2,1H3
InChIKeyWNBLQMBAFZJOND-UHFFFAOYSA-N
XLogP0.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol (CID 106529878) is [3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol is CS(=O)(=O)N1CCN(c2cc(F)cc(CO)c2)CC1.
What is the InChIKey of [3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
The InChIKey is WNBLQMBAFZJOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-19(17,18)15-4-2-14(3-5-15)12-7-10(9-16)6-11(13)8-12/h6-8,16H,2-5,9H2,1H3.
What are the key properties of [3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
[3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol has a molecular weight of 288.34 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 106529878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).