N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide

C14H18F2N2O3S — CID 123928647

IUPACN-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1(C)CC(F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18F2N2O3S/c1-3-17-13(19)14(2)8-11(16)9-18(14)22(20,21)12-6-4-10(15)5-7-12/h4-7,11H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyDFDXWINPILRYQW-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.45
Rot. Bonds4

About N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide

N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide (PubChem CID 123928647) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide
PubChem CID123928647
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC NameN-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1(C)CC(F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18F2N2O3S/c1-3-17-13(19)14(2)8-11(16)9-18(14)22(20,21)12-6-4-10(15)5-7-12/h4-7,11H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyDFDXWINPILRYQW-UHFFFAOYSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 118008294
(2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8688391
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 7925561
4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327570
2-[[(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carbonyl]amino]acetate
CID 8829293
(3S)-2-(4-fluorophenyl)sulfonyl-1-methyl-2-azabicyclo[2.1.1]hexane-3-carbonyl iodide
CID 134192448
(3R)-1-(4-acetylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088314
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
(2S)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671088
(2R)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671089
[4-(ethylcarbamoyl)-2,3,5,6-tetrafluorophenyl] 4-fluorobenzenesulfonate
CID 59102843
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27332723

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide (CID 123928647) is N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide is CCNC(=O)C1(C)CC(F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide?
The InChIKey is DFDXWINPILRYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-3-17-13(19)14(2)8-11(16)9-18(14)22(20,21)12-6-4-10(15)5-7-12/h4-7,11H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide?
N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 123928647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).