5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide

C8H15BrN4O3S — CID 103354564

IUPAC5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4O3S/c1-8(2,5-16-4)11-17(14,15)7-6(9)10-12-13(7)3/h11H,5H2,1-4H3
InChIKeyGEOVFCNNPGZEOT-UHFFFAOYSA-N
MW327.20 g/mol
LogP0.28
Rot. Bonds5

About 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide

5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide (PubChem CID 103354564) has the molecular formula C8H15BrN4O3S and a molecular weight of 327.20 g/mol. Its IUPAC name is 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide
PubChem CID103354564
Molecular FormulaC8H15BrN4O3S
Molecular Weight327.20 g/mol
Exact Mass326.00
IUPAC Name5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4O3S/c1-8(2,5-16-4)11-17(14,15)7-6(9)10-12-13(7)3/h11H,5H2,1-4H3
InChIKeyGEOVFCNNPGZEOT-UHFFFAOYSA-N
XLogP0.28
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide 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-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-sulfonamide
CID 106468008
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-3-methyltriazole-4-sulfonamide
CID 106898590
5-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]triazole-4-sulfonamide
CID 103354546
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methyltriazole-4-sulfonamide
CID 103354604
5-bromo-N-(2-ethoxypropyl)-3-methyltriazole-4-sulfonamide
CID 103354605
5-bromo-N-(2-ethoxyethyl)-N,3-dimethyltriazole-4-sulfonamide
CID 103354659
5-bromo-3-methyl-N-(2-propan-2-yloxyethyl)triazole-4-sulfonamide
CID 103354675
5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide
CID 103354692
5-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methyltriazole-4-sulfonamide
CID 105651760
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106158175
5-bromo-N-(4-bromo-1-methoxybutan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106158394
5-bromo-N-(1-bromo-3-methoxypropan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106185017

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide (CID 103354564) is 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide is COCC(C)(C)NS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide?
The InChIKey is GEOVFCNNPGZEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN4O3S/c1-8(2,5-16-4)11-17(14,15)7-6(9)10-12-13(7)3/h11H,5H2,1-4H3.
What are the key properties of 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide has a molecular weight of 327.20 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).