N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C13H16F2N2O3S — CID 113157562

IUPACN-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17(9-12(18)16-7-2-3-8-16)13-10(14)5-4-6-11(13)15/h4-6H,2-3,7-9H2,1H3
InChIKeyPFGMTQKBIKQKDM-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.35
Rot. Bonds4

About N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 113157562) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID113157562
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC NameN-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17(9-12(18)16-7-2-3-8-16)13-10(14)5-4-6-11(13)15/h4-6H,2-3,7-9H2,1H3
InChIKeyPFGMTQKBIKQKDM-UHFFFAOYSA-N
XLogP1.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157617
N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113154391
N-(2,6-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113156941
N-(3-chloro-4-fluorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 967280
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774
N-(2,6-difluorophenyl)-N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113147118
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]methanesulfonamide
CID 2222605
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
N-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 1097974
N-(2-oxo-2-piperidin-1-ylethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50946136
N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
CID 113154693
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[4-(diethylamino)phenyl]methanesulfonamide
CID 113156241

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 113157562) is N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCC1)c1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is PFGMTQKBIKQKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-21(19,20)17(9-12(18)16-7-2-3-8-16)13-10(14)5-4-6-11(13)15/h4-6H,2-3,7-9H2,1H3.
What are the key properties of N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 318.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 113157562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).