5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide

C14H22BrNO2S — CID 83147355

IUPAC5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C14H22BrNO2S/c1-10-6-7-12(15)8-13(10)19(17,18)16-9-11(2)14(3,4)5/h6-8,11,16H,9H2,1-5H3
InChIKeyGCTGJAGEGIITNX-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.72
Rot. Bonds4

About 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide

5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide (PubChem CID 83147355) has the molecular formula C14H22BrNO2S and a molecular weight of 348.31 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
PubChem CID83147355
Molecular FormulaC14H22BrNO2S
Molecular Weight348.31 g/mol
Exact Mass347.06
IUPAC Name5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C14H22BrNO2S/c1-10-6-7-12(15)8-13(10)19(17,18)16-9-11(2)14(3,4)5/h6-8,11,16H,9H2,1-5H3
InChIKeyGCTGJAGEGIITNX-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)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

5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
CID 115306000
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
5-bromo-2-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 33143864

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide (CID 83147355) is 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The InChIKey is GCTGJAGEGIITNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2S/c1-10-6-7-12(15)8-13(10)19(17,18)16-9-11(2)14(3,4)5/h6-8,11,16H,9H2,1-5H3.
What are the key properties of 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide has a molecular weight of 348.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 83147355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).