2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide

C13H16F2N2O5S2 — CID 90586879

IUPAC2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C13H16F2N2O5S2/c1-23(19,20)9-5-6-17(8-9)12(18)7-16-24(21,22)13-10(14)3-2-4-11(13)15/h2-4,9,16H,5-8H2,1H3
InChIKeyDZCSADKHPXXNIK-UHFFFAOYSA-N
MW382.41 g/mol
LogP-0.11
Rot. Bonds5

About 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide

2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 90586879) has the molecular formula C13H16F2N2O5S2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID90586879
Molecular FormulaC13H16F2N2O5S2
Molecular Weight382.41 g/mol
Exact Mass382.05
IUPAC Name2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C13H16F2N2O5S2/c1-23(19,20)9-5-6-17(8-9)12(18)7-16-24(21,22)13-10(14)3-2-4-11(13)15/h2-4,9,16H,5-8H2,1H3
InChIKeyDZCSADKHPXXNIK-UHFFFAOYSA-N
XLogP-0.11
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide 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

2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 90586387
2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide
CID 146122653
2,6-difluoro-N-[3-methyl-1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 90586881
2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90590475
2,6-difluoro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8713521
2-fluoro-N-[3-methyl-1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 90586856
N-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90586620
2,6-difluoro-N-[3-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 90589644
1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
CID 90584610
2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592587
(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 124851079
2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide
CID 90590908

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 90586879) is 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide is CS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is DZCSADKHPXXNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O5S2/c1-23(19,20)9-5-6-17(8-9)12(18)7-16-24(21,22)13-10(14)3-2-4-11(13)15/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide?
2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 382.41 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 90586879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).