[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine

C11H14F2N2O2S — CID 55030656

IUPAC[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C11H14F2N2O2S/c12-9-1-2-10(13)11(5-9)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyLJPWIPDQEYNDNT-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.93
Rot. Bonds3

About [1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine

[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 55030656) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is [1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID55030656
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C11H14F2N2O2S/c12-9-1-2-10(13)11(5-9)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyLJPWIPDQEYNDNT-UHFFFAOYSA-N
XLogP0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972159
[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 116527858
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132459
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972228
4-(2-bromoethoxy)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 82687785
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine (CID 55030656) is [1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of [1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is LJPWIPDQEYNDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c12-9-1-2-10(13)11(5-9)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2.
What are the key properties of [1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 276.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 55030656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).