2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide

C12H17Br2NO3S — CID 113258209

IUPAC2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C12H17Br2NO3S/c1-4-18-9(3)7-15-19(16,17)12-6-10(13)8(2)5-11(12)14/h5-6,9,15H,4,7H2,1-3H3
InChIKeyXPQMPYVZDYJZHI-UHFFFAOYSA-N
MW415.15 g/mol
LogP3.22
Rot. Bonds6

About 2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide (PubChem CID 113258209) has the molecular formula C12H17Br2NO3S and a molecular weight of 415.15 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide
PubChem CID113258209
Molecular FormulaC12H17Br2NO3S
Molecular Weight415.15 g/mol
Exact Mass412.93
IUPAC Name2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C12H17Br2NO3S/c1-4-18-9(3)7-15-19(16,17)12-6-10(13)8(2)5-11(12)14/h5-6,9,15H,4,7H2,1-3H3
InChIKeyXPQMPYVZDYJZHI-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-(2-ethoxypropyl)-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-[2-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 80708425
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925
2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide
CID 81424081
2,5-dibromo-N-(3-chloro-2-methylpropyl)-4-methylbenzenesulfonamide
CID 81327843
3-bromo-N-(2-ethoxypropyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106078735
2,5-dibromo-N-(2-hydroxypentyl)-4-methylbenzenesulfonamide
CID 115754515
3-[[(2,5-dibromo-4-methylphenyl)sulfonylamino]methyl]pentanoic acid
CID 81320151
5-bromo-N-[(2S)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 51860913
2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714913
2,5-dibromo-N-(2-cyclopropyl-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81327832
5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide
CID 106078844
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide (CID 113258209) is 2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide is CCOC(C)CNS(=O)(=O)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide?
The InChIKey is XPQMPYVZDYJZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO3S/c1-4-18-9(3)7-15-19(16,17)12-6-10(13)8(2)5-11(12)14/h5-6,9,15H,4,7H2,1-3H3.
What are the key properties of 2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide has a molecular weight of 415.15 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-ethoxypropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 113258209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).