(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol

C11H14FNO3S — CID 146346188

IUPAC(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol
SMILESO=S(=O)(c1ccc(CO)c(F)c1)N1CCCC1
InChIInChI=1S/C11H14FNO3S/c12-11-7-10(4-3-9(11)8-14)17(15,16)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2
InChIKeyLGQMUZBTGHTKKD-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.10
Rot. Bonds3

About (2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol

(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol (PubChem CID 146346188) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is (2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol
PubChem CID146346188
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol
SMILESO=S(=O)(c1ccc(CO)c(F)c1)N1CCCC1
InChIInChI=1S/C11H14FNO3S/c12-11-7-10(4-3-9(11)8-14)17(15,16)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2
InChIKeyLGQMUZBTGHTKKD-UHFFFAOYSA-N
XLogP1.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol?
The IUPAC name of (2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol (CID 146346188) is (2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol.
What is the SMILES notation for (2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol?
The canonical SMILES for (2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol is O=S(=O)(c1ccc(CO)c(F)c1)N1CCCC1.
What is the InChIKey of (2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol?
The InChIKey is LGQMUZBTGHTKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-11-7-10(4-3-9(11)8-14)17(15,16)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2.
What are the key properties of (2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol?
(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol has a molecular weight of 259.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)methanol is sourced from PubChem (CID 146346188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).