2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide

C12H18BrNO3S — CID 115650768

IUPAC2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C12H18BrNO3S/c1-9-5-6-11(10(13)7-9)18(15,16)14-8-12(2,3)17-4/h5-7,14H,8H2,1-4H3
InChIKeyWTVHFBDVEIORSC-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.46
Rot. Bonds5

About 2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide

2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 115650768) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID115650768
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C12H18BrNO3S/c1-9-5-6-11(10(13)7-9)18(15,16)14-8-12(2,3)17-4/h5-7,14H,8H2,1-4H3
InChIKeyWTVHFBDVEIORSC-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(2-methoxy-2-methylpropyl)-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-bromo-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60824533
2-bromo-N-(2,2-dimethylbutyl)-4-methylbenzenesulfonamide
CID 103463984
2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102697677
2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 60732174
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120717896
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907709
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758524
2-bromo-4-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115486665
methyl 6-[(2-bromo-4-methylphenyl)sulfonylamino]hexanoate
CID 43423584

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 115650768) is 2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide is COC(C)(C)CNS(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is WTVHFBDVEIORSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-9-5-6-11(10(13)7-9)18(15,16)14-8-12(2,3)17-4/h5-7,14H,8H2,1-4H3.
What are the key properties of 2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 336.25 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 115650768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).