5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide

C9H17BrN4O3S — CID 103354596

IUPAC5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C9H17BrN4O3S/c1-6(2)4-7(15)5-11-18(16,17)9-8(10)12-13-14(9)3/h6-7,11,15H,4-5H2,1-3H3
InChIKeyMQCOBHMUHVMMMN-UHFFFAOYSA-N
MW341.23 g/mol
LogP0.26
Rot. Bonds6

About 5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide

5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide (PubChem CID 103354596) has the molecular formula C9H17BrN4O3S and a molecular weight of 341.23 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide
PubChem CID103354596
Molecular FormulaC9H17BrN4O3S
Molecular Weight341.23 g/mol
Exact Mass340.02
IUPAC Name5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C9H17BrN4O3S/c1-6(2)4-7(15)5-11-18(16,17)9-8(10)12-13-14(9)3/h6-7,11,15H,4-5H2,1-3H3
InChIKeyMQCOBHMUHVMMMN-UHFFFAOYSA-N
XLogP0.26
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-(2-hydroxy-4-methylpentyl)-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-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
CID 106466889
2-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 106466045
5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide
CID 106466835
5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467256
5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide
CID 106468486
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106468442
5-bromo-3-methyl-N-[3-(methylamino)propyl]triazole-4-sulfonamide
CID 106466972
5-bromo-3-methyl-N-prop-2-ynyltriazole-4-sulfonamide
CID 106467331
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 103354688
5-bromo-N-(4-bromopentan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106468465
5-bromo-N-[2-(2-chloroethyl)pentyl]-3-methyltriazole-4-sulfonamide
CID 106118248
5-bromo-N-but-2-ynyl-3-methyltriazole-4-sulfonamide
CID 106468202

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide (CID 103354596) is 5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide is CC(C)CC(O)CNS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is MQCOBHMUHVMMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN4O3S/c1-6(2)4-7(15)5-11-18(16,17)9-8(10)12-13-14(9)3/h6-7,11,15H,4-5H2,1-3H3.
What are the key properties of 5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 341.23 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).