2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide

C13H19Br2NO2S — CID 81424081

IUPAC2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCC(C)C(C)C)cc1Br
InChIInChI=1S/C13H19Br2NO2S/c1-8(2)10(4)7-16-19(17,18)13-6-11(14)9(3)5-12(13)15/h5-6,8,10,16H,7H2,1-4H3
InChIKeyXRMCKONIZUXADM-UHFFFAOYSA-N
MW413.18 g/mol
LogP4.09
Rot. Bonds5

About 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide (PubChem CID 81424081) has the molecular formula C13H19Br2NO2S and a molecular weight of 413.18 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide
PubChem CID81424081
Molecular FormulaC13H19Br2NO2S
Molecular Weight413.18 g/mol
Exact Mass410.95
IUPAC Name2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCC(C)C(C)C)cc1Br
InChIInChI=1S/C13H19Br2NO2S/c1-8(2)10(4)7-16-19(17,18)13-6-11(14)9(3)5-12(13)15/h5-6,8,10,16H,7H2,1-4H3
InChIKeyXRMCKONIZUXADM-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.18
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide 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

2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925
2,5-dibromo-N-[2-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 80708425
2,5-dibromo-N-(3-chloro-2-methylpropyl)-4-methylbenzenesulfonamide
CID 81327843
2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide
CID 113258209
5-bromo-N-[(2S)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 51860913
2,5-dibromo-N-(2-hydroxypentyl)-4-methylbenzenesulfonamide
CID 115754515
2,5-dibromo-N-(2-cyclopropyl-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81327832
2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714913
3-[[(2,5-dibromo-4-methylphenyl)sulfonylamino]methyl]pentanoic acid
CID 81320151
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307
2,5-dibromo-N-(4-hydroxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 113318357
2,5-dibromo-N-(5-bromo-4-methylpentyl)-4-methylbenzenesulfonamide
CID 106158589

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide (CID 81424081) is 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NCC(C)C(C)C)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide?
The InChIKey is XRMCKONIZUXADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO2S/c1-8(2)10(4)7-16-19(17,18)13-6-11(14)9(3)5-12(13)15/h5-6,8,10,16H,7H2,1-4H3.
What are the key properties of 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide has a molecular weight of 413.18 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 81424081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).