4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide

C11H14BrFN2O2S — CID 116528485

IUPAC4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C11H14BrFN2O2S/c1-15-5-4-9(7-15)14-18(16,17)11-3-2-8(12)6-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyFNOAEPMFRZRLOT-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.57
Rot. Bonds3

About 4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide

4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 116528485) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID116528485
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C11H14BrFN2O2S/c1-15-5-4-9(7-15)14-18(16,17)11-3-2-8(12)6-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyFNOAEPMFRZRLOT-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114383117
2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54950213
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114502894
4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116528571
5-bromo-N-(1-methylpiperidin-4-yl)-2-nitrobenzenesulfonamide
CID 61016123
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 116528706
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61462084
methyl 4-fluoro-2-[(1-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 103833514
2-(2-aminoethyl)-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052637

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (CID 116528485) is 4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2ccc(Br)cc2F)C1.
What is the InChIKey of 4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is FNOAEPMFRZRLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c1-15-5-4-9(7-15)14-18(16,17)11-3-2-8(12)6-10(11)13/h2-3,6,9,14H,4-5,7H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 337.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 116528485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).