N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide

C14H18F2N2O3S — CID 154801356

IUPACN-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C(F)(F)Cc2ccccc2)C1
InChIInChI=1S/C14H18F2N2O3S/c1-22(20,21)17-12-7-8-18(10-12)13(19)14(15,16)9-11-5-3-2-4-6-11/h2-6,12,17H,7-10H2,1H3
InChIKeyXFAUCDMFGBJYAB-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.01
Rot. Bonds5

About N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide

N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 154801356) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID154801356
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC NameN-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C(F)(F)Cc2ccccc2)C1
InChIInChI=1S/C14H18F2N2O3S/c1-22(20,21)17-12-7-8-18(10-12)13(19)14(15,16)9-11-5-3-2-4-6-11/h2-6,12,17H,7-10H2,1H3
InChIKeyXFAUCDMFGBJYAB-UHFFFAOYSA-N
XLogP1.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide 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

N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119329196
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl] N-tert-butylcarbamate
CID 90709878
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
N-[1-[(E)-3-(3-fluorophenyl)but-2-enoyl]pyrrolidin-3-yl]methanesulfonamide
CID 132969892
N-[(3S)-1-[(1R,2R)-2-(5-fluoro-2-phenylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848764
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848875
4-[3-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 125151434
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
N-[1-[2-(2-methyl-6-phenylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848561

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide (CID 154801356) is N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)C(F)(F)Cc2ccccc2)C1.
What is the InChIKey of N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is XFAUCDMFGBJYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-22(20,21)17-12-7-8-18(10-12)13(19)14(15,16)9-11-5-3-2-4-6-11/h2-6,12,17H,7-10H2,1H3.
What are the key properties of N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide?
N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 332.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 154801356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).