2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C14H18F2N2O3S — CID 94813897

IUPAC2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESC[C@@H](CNS(=O)(=O)c1cccc(F)c1F)CN1CCCC1=O
InChIInChI=1S/C14H18F2N2O3S/c1-10(9-18-7-3-6-13(18)19)8-17-22(20,21)12-5-2-4-11(15)14(12)16/h2,4-5,10,17H,3,6-9H2,1H3/t10-/m0/s1
InChIKeyBOKWUJTVWPOXPC-JTQLQIEISA-N
MW332.37 g/mol
LogP1.50
Rot. Bonds6

About 2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 94813897) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is 2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID94813897
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC Name2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESC[C@@H](CNS(=O)(=O)c1cccc(F)c1F)CN1CCCC1=O
InChIInChI=1S/C14H18F2N2O3S/c1-10(9-18-7-3-6-13(18)19)8-17-22(20,21)12-5-2-4-11(15)14(12)16/h2,4-5,10,17H,3,6-9H2,1H3/t10-/m0/s1
InChIKeyBOKWUJTVWPOXPC-JTQLQIEISA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 52771363
2,3-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778813
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991124
3-fluoro-N-(2-methylbutyl)-2-nitrobenzenesulfonamide
CID 112674559
N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110428842
N-tert-butyl-2,3-difluorobenzenesulfonamide
CID 167068212
1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one
CID 105497790
1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate
CID 171519932
N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride
CID 119960023
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858314

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 94813897) is 2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is C[C@@H](CNS(=O)(=O)c1cccc(F)c1F)CN1CCCC1=O.
What is the InChIKey of 2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is BOKWUJTVWPOXPC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-10(9-18-7-3-6-13(18)19)8-17-22(20,21)12-5-2-4-11(15)14(12)16/h2,4-5,10,17H,3,6-9H2,1H3/t10-/m0/s1.
What are the key properties of 2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 332.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 94813897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).