2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

C16H14F2N2O3S — CID 8841824

IUPAC2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccccc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O3S/c17-11-7-8-12(18)15(10-11)24(22,23)19-13-4-1-2-5-14(13)20-9-3-6-16(20)21/h1-2,4-5,7-8,10,19H,3,6,9H2
InChIKeyMSDCTMYVZXZVQJ-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.89
Rot. Bonds4

About 2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 8841824) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID8841824
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccccc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O3S/c17-11-7-8-12(18)15(10-11)24(22,23)19-13-4-1-2-5-14(13)20-9-3-6-16(20)21/h1-2,4-5,7-8,10,19H,3,6,9H2
InChIKeyMSDCTMYVZXZVQJ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841739
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8841812
1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid
CID 71875086
3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide
CID 31046790
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 25358999
2,5-difluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283171
2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 60533118
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 8841824) is 2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is O=C1CCCN1c1ccccc1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is MSDCTMYVZXZVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c17-11-7-8-12(18)15(10-11)24(22,23)19-13-4-1-2-5-14(13)20-9-3-6-16(20)21/h1-2,4-5,7-8,10,19H,3,6,9H2.
What are the key properties of 2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 352.36 g/mol, XLogP of 2.89, 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-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8841824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).