5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide

C10H19BrN4O3S — CID 103354677

IUPAC5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide
SMILESCOCCC(C)(C)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O3S/c1-10(2,5-6-18-4)7-12-19(16,17)9-8(11)13-14-15(9)3/h12H,5-7H2,1-4H3
InChIKeyDWLQJGWZEKXUFT-UHFFFAOYSA-N
MW355.26 g/mol
LogP0.92
Rot. Bonds7

About 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide

5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide (PubChem CID 103354677) has the molecular formula C10H19BrN4O3S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide
PubChem CID103354677
Molecular FormulaC10H19BrN4O3S
Molecular Weight355.26 g/mol
Exact Mass354.04
IUPAC Name5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide
SMILESCOCCC(C)(C)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O3S/c1-10(2,5-6-18-4)7-12-19(16,17)9-8(11)13-14-15(9)3/h12H,5-7H2,1-4H3
InChIKeyDWLQJGWZEKXUFT-UHFFFAOYSA-N
XLogP0.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-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-(3-methylbutoxy)ethyl]triazole-4-sulfonamide
CID 103354546
5-bromo-N-[4-(2-methoxyethoxy)butyl]-3-methyltriazole-4-sulfonamide
CID 103354561
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methyltriazole-4-sulfonamide
CID 103354604
5-bromo-N-[(1-ethylcyclopropyl)methyl]-3-methyltriazole-4-sulfonamide
CID 103354625
5-bromo-N-(2,2-dimethylheptyl)-3-methyltriazole-4-sulfonamide
CID 103354630
5-bromo-3-methyl-N-[1-(oxan-4-yl)ethyl]triazole-4-sulfonamide
CID 103354641
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide
CID 103354648
5-bromo-3-methyl-N-[(4-methyloxan-4-yl)methyl]triazole-4-sulfonamide
CID 103354657
5-bromo-N-[(1-methoxycyclobutyl)methyl]-3-methyltriazole-4-sulfonamide
CID 103354664
5-bromo-3-methyl-N-(4-propan-2-yloxybutyl)triazole-4-sulfonamide
CID 103354670
5-bromo-N-(3,3-dimethyl-2-oxobutyl)-3-methyltriazole-4-sulfonamide
CID 103354679
5-bromo-N-(4-bromo-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide
CID 106145700

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide (CID 103354677) is 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide is COCCC(C)(C)CNS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is DWLQJGWZEKXUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4O3S/c1-10(2,5-6-18-4)7-12-19(16,17)9-8(11)13-14-15(9)3/h12H,5-7H2,1-4H3.
What are the key properties of 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 355.26 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).