2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide

C16H14F2N2O3S — CID 95255063

IUPAC2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1[C@@H](NS(=O)(=O)c2cc(F)ccc2F)CCN1c1ccccc1
InChIInChI=1S/C16H14F2N2O3S/c17-11-6-7-13(18)15(10-11)24(22,23)19-14-8-9-20(16(14)21)12-4-2-1-3-5-12/h1-7,10,14,19H,8-9H2/t14-/m0/s1
InChIKeyHOGAYNCWNKDCHA-AWEZNQCLSA-N
MW352.36 g/mol
LogP2.05
Rot. Bonds4

About 2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide

2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide (PubChem CID 95255063) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
PubChem CID95255063
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1[C@@H](NS(=O)(=O)c2cc(F)ccc2F)CCN1c1ccccc1
InChIInChI=1S/C16H14F2N2O3S/c17-11-6-7-13(18)15(10-11)24(22,23)19-14-8-9-20(16(14)21)12-4-2-1-3-5-12/h1-7,10,14,19H,8-9H2/t14-/m0/s1
InChIKeyHOGAYNCWNKDCHA-AWEZNQCLSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71835736
2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide
CID 75453076
2-chloro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255094
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488
2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 71838669
3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101436
2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 126796000
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 71838496
N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 95101484
2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101432
2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide
CID 71838586
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide
CID 17486240

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide (CID 95255063) is 2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide is O=C1[C@@H](NS(=O)(=O)c2cc(F)ccc2F)CCN1c1ccccc1.
What is the InChIKey of 2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is HOGAYNCWNKDCHA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c17-11-6-7-13(18)15(10-11)24(22,23)19-14-8-9-20(16(14)21)12-4-2-1-3-5-12/h1-7,10,14,19H,8-9H2/t14-/m0/s1.
What are the key properties of 2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 352.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95255063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).