[(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H20F2N2O4S — CID 110876030

IUPAC[(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)cc1F
InChIInChI=1S/C16H20F2N2O4S/c1-11-2-3-13(9-14(11)18)25(22,23)20-10-12(17)8-15(20)16(21)19-4-6-24-7-5-19/h2-3,9,12,15H,4-8,10H2,1H3/t12-,15-/m0/s1
InChIKeyQWANJPWDQSKADC-WFASDCNBSA-N
MW374.41 g/mol
LogP1.09
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110876030) has the molecular formula C16H20F2N2O4S and a molecular weight of 374.41 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110876030
Molecular FormulaC16H20F2N2O4S
Molecular Weight374.41 g/mol
Exact Mass374.11
IUPAC Name[(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)cc1F
InChIInChI=1S/C16H20F2N2O4S/c1-11-2-3-13(9-14(11)18)25(22,23)20-10-12(17)8-15(20)16(21)19-4-6-24-7-5-19/h2-3,9,12,15H,4-8,10H2,1H3/t12-,15-/m0/s1
InChIKeyQWANJPWDQSKADC-WFASDCNBSA-N
XLogP1.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-chloroethenyl]-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]benzene-1-sulfonamide
CID 16125613
4-Morpholin-4-yl-1-(4-pentyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10764871
1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-2-morpholin-4-yl-ethanone
CID 654303
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
4-({4-[3-Oxo-3-(1-pyrrolidinyl)propyl]phenyl}sulfonyl)morpholine
CID 2374147
1-[(4-Methylphenyl)sulfonyl]-5-[(4-methyl-1-piperazinyl)carbonyl]-2-pyrrolidinone
CID 2956144
1-[(4-Methylphenyl)sulfonyl]-5-(piperidin-1-ylcarbonyl)pyrrolidin-2-one
CID 2956252
1-{1-[(4-Methylphenyl)sulfonyl]prolyl}azepane
CID 2964486
(S)-N-propyl-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 7679666
3-Methyl-2-(4-methylbenzenesulfonamido)-N-[3-(morpholin-4-YL)propyl]pentanamide
CID 20970535
N-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 2961332
N-ethyl-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 934568

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110876030) is [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)cc1F.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is QWANJPWDQSKADC-WFASDCNBSA-N. The full InChI is InChI=1S/C16H20F2N2O4S/c1-11-2-3-13(9-14(11)18)25(22,23)20-10-12(17)8-15(20)16(21)19-4-6-24-7-5-19/h2-3,9,12,15H,4-8,10H2,1H3/t12-,15-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 374.41 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110876030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).