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

C12H15BrFNO2S — CID 116528616

IUPAC4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO2S/c1-8-3-2-4-11(8)15-18(16,17)12-6-5-9(13)7-10(12)14/h5-8,11,15H,2-4H2,1H3
InChIKeyGYGWAHPZGQTSPB-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.06
Rot. Bonds3

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

4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 116528616) has the molecular formula C12H15BrFNO2S and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID116528616
Molecular FormulaC12H15BrFNO2S
Molecular Weight336.23 g/mol
Exact Mass335.00
IUPAC Name4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO2S/c1-8-3-2-4-11(8)15-18(16,17)12-6-5-9(13)7-10(12)14/h5-8,11,15H,2-4H2,1H3
InChIKeyGYGWAHPZGQTSPB-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116528571
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114383117
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 116527379
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
5-amino-4-bromo-2-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 116530440
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281293
4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172811
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
2-amino-5-bromo-4-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 106491879

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide (CID 116528616) is 4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide is CC1CCCC1NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is GYGWAHPZGQTSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2S/c1-8-3-2-4-11(8)15-18(16,17)12-6-5-9(13)7-10(12)14/h5-8,11,15H,2-4H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 336.23 g/mol, XLogP of 3.06, 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-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 116528616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).