1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide

C13H19FN2O2S — CID 104972619

IUPAC1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC[C@@H]1CCCN1
InChIInChI=1S/C13H19FN2O2S/c14-12-5-3-11(4-6-12)10-19(17,18)16-9-7-13-2-1-8-15-13/h3-6,13,15-16H,1-2,7-10H2/t13-/m0/s1
InChIKeyNSBXSWQOKLBMFK-ZDUSSCGKSA-N
MW286.37 g/mol
LogP1.39
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide (PubChem CID 104972619) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
PubChem CID104972619
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC[C@@H]1CCCN1
InChIInChI=1S/C13H19FN2O2S/c14-12-5-3-11(4-6-12)10-19(17,18)16-9-7-13-2-1-8-15-13/h3-6,13,15-16H,1-2,7-10H2/t13-/m0/s1
InChIKeyNSBXSWQOKLBMFK-ZDUSSCGKSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972420
2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972390
1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide
CID 63624166
5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723547
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328359
4-fluoro-2,6-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328360
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723520
1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide
CID 125434821
1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972605
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide (CID 104972619) is 1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC[C@@H]1CCCN1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is NSBXSWQOKLBMFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c14-12-5-3-11(4-6-12)10-19(17,18)16-9-7-13-2-1-8-15-13/h3-6,13,15-16H,1-2,7-10H2/t13-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.39, 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-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 104972619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).