5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide

C13H18BrFN2O2S — CID 114542992

IUPAC5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2cc(N)c(F)cc2Br)C1
InChIInChI=1S/C13H18BrFN2O2S/c1-13(2)4-3-8(7-13)17-20(18,19)12-6-11(16)10(15)5-9(12)14/h5-6,8,17H,3-4,7,16H2,1-2H3
InChIKeyRHGQSAWRQZUUEM-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.03
Rot. Bonds3

About 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide

5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide (PubChem CID 114542992) has the molecular formula C13H18BrFN2O2S and a molecular weight of 365.27 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
PubChem CID114542992
Molecular FormulaC13H18BrFN2O2S
Molecular Weight365.27 g/mol
Exact Mass364.03
IUPAC Name5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2cc(N)c(F)cc2Br)C1
InChIInChI=1S/C13H18BrFN2O2S/c1-13(2)4-3-8(7-13)17-20(18,19)12-6-11(16)10(15)5-9(12)14/h5-6,8,17H,3-4,7,16H2,1-2H3
InChIKeyRHGQSAWRQZUUEM-UHFFFAOYSA-N
XLogP3.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide 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

3-amino-5-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 55260822
3-amino-4-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 55260823
5-amino-2,4-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63820727
5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63823107
5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 65022410
5-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 65201711
5-amino-2-bromo-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65201810
5-amino-2-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 65201898
5-amino-2-bromo-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 65201994
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093
5-amino-2-bromo-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 65202340
5-amino-2-bromo-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 65202381

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide (CID 114542992) is 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide is CC1(C)CCC(NS(=O)(=O)c2cc(N)c(F)cc2Br)C1.
What is the InChIKey of 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The InChIKey is RHGQSAWRQZUUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2S/c1-13(2)4-3-8(7-13)17-20(18,19)12-6-11(16)10(15)5-9(12)14/h5-6,8,17H,3-4,7,16H2,1-2H3.
What are the key properties of 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide has a molecular weight of 365.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 114542992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).