4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide

C10H11BrFNO2S — CID 116528571

IUPAC4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCC1CC1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2S/c1-6-4-9(6)13-16(14,15)10-3-2-7(11)5-8(10)12/h2-3,5-6,9,13H,4H2,1H3
InChIKeyYBLPMARQCLXJJP-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.27
Rot. Bonds3

About 4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide

4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide (PubChem CID 116528571) has the molecular formula C10H11BrFNO2S and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
PubChem CID116528571
Molecular FormulaC10H11BrFNO2S
Molecular Weight308.17 g/mol
Exact Mass306.97
IUPAC Name4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCC1CC1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2S/c1-6-4-9(6)13-16(14,15)10-3-2-7(11)5-8(10)12/h2-3,5-6,9,13H,4H2,1H3
InChIKeyYBLPMARQCLXJJP-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride
CID 62397353
4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114383117
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 116527379
4-bromo-2-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 104889684
4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 79189663
4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 116527392
4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 116528485
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide (CID 116528571) is 4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide is CC1CC1NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide?
The InChIKey is YBLPMARQCLXJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2S/c1-6-4-9(6)13-16(14,15)10-3-2-7(11)5-8(10)12/h2-3,5-6,9,13H,4H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide has a molecular weight of 308.17 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 116528571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).