2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide

C13H18Br2N2O2S — CID 79861380

IUPAC2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O2S/c1-13(2)5-3-4-11(13)17-20(18,19)12-9(15)6-8(14)7-10(12)16/h6-7,11,17H,3-5,16H2,1-2H3
InChIKeySDDIPLWFLLHZQS-UHFFFAOYSA-N
MW426.17 g/mol
LogP3.65
Rot. Bonds3

About 2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide

2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide (PubChem CID 79861380) has the molecular formula C13H18Br2N2O2S and a molecular weight of 426.17 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
PubChem CID79861380
Molecular FormulaC13H18Br2N2O2S
Molecular Weight426.17 g/mol
Exact Mass423.95
IUPAC Name2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O2S/c1-13(2)5-3-4-11(13)17-20(18,19)12-9(15)6-8(14)7-10(12)16/h6-7,11,17H,3-5,16H2,1-2H3
InChIKeySDDIPLWFLLHZQS-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.17
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79872231
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213586
2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide
CID 103171642
2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79860879
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393
2-amino-N-(2,2-dimethylcyclopentyl)-4-nitrobenzenesulfonamide
CID 79870556
4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79872495

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide (CID 79861380) is 2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide is CC1(C)CCCC1NS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
The InChIKey is SDDIPLWFLLHZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2S/c1-13(2)5-3-4-11(13)17-20(18,19)12-9(15)6-8(14)7-10(12)16/h6-7,11,17H,3-5,16H2,1-2H3.
What are the key properties of 2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide has a molecular weight of 426.17 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 79861380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).