(2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine

C11H15FN2O2S — CID 28716660

IUPAC(2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine
SMILESNCc1cc(S(=O)(=O)N2CCCC2)ccc1F
InChIInChI=1S/C11H15FN2O2S/c12-11-4-3-10(7-9(11)8-13)17(15,16)14-5-1-2-6-14/h3-4,7H,1-2,5-6,8,13H2
InChIKeyGELHEMRLPUQCFO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.07
Rot. Bonds3

About (2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine

(2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine (PubChem CID 28716660) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is (2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine
PubChem CID28716660
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name(2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine
SMILESNCc1cc(S(=O)(=O)N2CCCC2)ccc1F
InChIInChI=1S/C11H15FN2O2S/c12-11-4-3-10(7-9(11)8-13)17(15,16)14-5-1-2-6-14/h3-4,7H,1-2,5-6,8,13H2
InChIKeyGELHEMRLPUQCFO-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine?
The IUPAC name of (2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine (CID 28716660) is (2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine?
The canonical SMILES for (2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine is NCc1cc(S(=O)(=O)N2CCCC2)ccc1F.
What is the InChIKey of (2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine?
The InChIKey is GELHEMRLPUQCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c12-11-4-3-10(7-9(11)8-13)17(15,16)14-5-1-2-6-14/h3-4,7H,1-2,5-6,8,13H2.
What are the key properties of (2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine?
(2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 28716660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).