5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

C13H16BrFN2O3S — CID 51130079

IUPAC5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)ccc1F)C(=O)N1CCCC1
InChIInChI=1S/C13H16BrFN2O3S/c1-9(13(18)17-6-2-3-7-17)16-21(19,20)12-8-10(14)4-5-11(12)15/h4-5,8-9,16H,2-3,6-7H2,1H3
InChIKeyWILNZGNXZFDIEU-UHFFFAOYSA-N
MW379.25 g/mol
LogP1.88
Rot. Bonds4

About 5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 51130079) has the molecular formula C13H16BrFN2O3S and a molecular weight of 379.25 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID51130079
Molecular FormulaC13H16BrFN2O3S
Molecular Weight379.25 g/mol
Exact Mass378.00
IUPAC Name5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)ccc1F)C(=O)N1CCCC1
InChIInChI=1S/C13H16BrFN2O3S/c1-9(13(18)17-6-2-3-7-17)16-21(19,20)12-8-10(14)4-5-11(12)15/h4-5,8-9,16H,2-3,6-7H2,1H3
InChIKeyWILNZGNXZFDIEU-UHFFFAOYSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(5-bromo-2-fluoroanilino)propan-1-one
CID 43555646
3-chloro-4-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94797865
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
3-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94217942
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558
2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097874
2-methoxy-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94799743
2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347501
2-(2,5-dibromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 54955580
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
4-bromo-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 27670291
5-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 71911226

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (CID 51130079) is 5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(Br)ccc1F)C(=O)N1CCCC1.
What is the InChIKey of 5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is WILNZGNXZFDIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3S/c1-9(13(18)17-6-2-3-7-17)16-21(19,20)12-8-10(14)4-5-11(12)15/h4-5,8-9,16H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 379.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 51130079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).