N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide

C15H21FN2O3S — CID 95194787

IUPACN-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
SMILESCC[C@@H](C(=O)N1CCCC1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C15H21FN2O3S/c1-3-13(15(19)17-10-6-7-11-17)18(22(2,20)21)14-9-5-4-8-12(14)16/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3/t13-/m0/s1
InChIKeyRRCIENVDMPJCDP-ZDUSSCGKSA-N
MW328.41 g/mol
LogP1.99
Rot. Bonds5

About N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide

N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide (PubChem CID 95194787) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
PubChem CID95194787
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
SMILESCC[C@@H](C(=O)N1CCCC1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C15H21FN2O3S/c1-3-13(15(19)17-10-6-7-11-17)18(22(2,20)21)14-9-5-4-8-12(14)16/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3/t13-/m0/s1
InChIKeyRRCIENVDMPJCDP-ZDUSSCGKSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide
CID 95195801
2-(2-fluoro-N-methylsulfonylanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133204254
N-(3-chloro-4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)methanesulfonamide
CID 50947033
N-(3-methylphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
CID 95118898
(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132698
(2S)-N-[(2-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132618
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100523601
N-(2-fluorophenyl)-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 132667265
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53288449
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288310
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 99132754
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 99132849

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide (CID 95194787) is N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide is CC[C@@H](C(=O)N1CCCC1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide?
The InChIKey is RRCIENVDMPJCDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-3-13(15(19)17-10-6-7-11-17)18(22(2,20)21)14-9-5-4-8-12(14)16/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide?
N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide is sourced from PubChem (CID 95194787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).