2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide

C13H17Br2NO2S — CID 79872231

IUPAC2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H17Br2NO2S/c1-13(2)7-3-4-12(13)16-19(17,18)11-8-9(14)5-6-10(11)15/h5-6,8,12,16H,3-4,7H2,1-2H3
InChIKeyXAGCBUBUXOJHIA-UHFFFAOYSA-N
MW411.16 g/mol
LogP4.07
Rot. Bonds3

About 2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide

2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide (PubChem CID 79872231) has the molecular formula C13H17Br2NO2S and a molecular weight of 411.16 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
PubChem CID79872231
Molecular FormulaC13H17Br2NO2S
Molecular Weight411.16 g/mol
Exact Mass408.93
IUPAC Name2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H17Br2NO2S/c1-13(2)7-3-4-12(13)16-19(17,18)11-8-9(14)5-6-10(11)15/h5-6,8,12,16H,3-4,7H2,1-2H3
InChIKeyXAGCBUBUXOJHIA-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-(2,2-dimethylcyclopentyl)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-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79872495
2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861380
2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid
CID 79870885
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634630
2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
4-[(2,5-dibromophenyl)sulfonylamino]-3-methyloxolane-3-carboxylic acid
CID 66249504
2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106071109
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide (CID 79872231) is 2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide is CC1(C)CCCC1NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
The InChIKey is XAGCBUBUXOJHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2S/c1-13(2)7-3-4-12(13)16-19(17,18)11-8-9(14)5-6-10(11)15/h5-6,8,12,16H,3-4,7H2,1-2H3.
What are the key properties of 2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide has a molecular weight of 411.16 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 79872231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).