1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide

C13H19FN2O2S — CID 63624166

IUPAC1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCC1CCNC1
InChIInChI=1S/C13H19FN2O2S/c14-13-3-1-12(2-4-13)10-19(17,18)16-8-6-11-5-7-15-9-11/h1-4,11,15-16H,5-10H2
InChIKeyZTQRARAIRNHMRW-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.24
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide

1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide (PubChem CID 63624166) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide
PubChem CID63624166
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCC1CCNC1
InChIInChI=1S/C13H19FN2O2S/c14-13-3-1-12(2-4-13)10-19(17,18)16-8-6-11-5-7-15-9-11/h1-4,11,15-16H,5-10H2
InChIKeyZTQRARAIRNHMRW-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide (CID 63624166) is 1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCCC1CCNC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide?
The InChIKey is ZTQRARAIRNHMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c14-13-3-1-12(2-4-13)10-19(17,18)16-8-6-11-5-7-15-9-11/h1-4,11,15-16H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 63624166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).