5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide

C7H13BrN4O4S — CID 103354585

IUPAC5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCCOCCO
InChIInChI=1S/C7H13BrN4O4S/c1-12-7(6(8)10-11-12)17(14,15)9-2-4-16-5-3-13/h9,13H,2-5H2,1H3
InChIKeyRCYKGZDTEJDOJR-UHFFFAOYSA-N
MW329.18 g/mol
LogP-1.14
Rot. Bonds7

About 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide

5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide (PubChem CID 103354585) has the molecular formula C7H13BrN4O4S and a molecular weight of 329.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide
PubChem CID103354585
Molecular FormulaC7H13BrN4O4S
Molecular Weight329.18 g/mol
Exact Mass327.98
IUPAC Name5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCCOCCO
InChIInChI=1S/C7H13BrN4O4S/c1-12-7(6(8)10-11-12)17(14,15)9-2-4-16-5-3-13/h9,13H,2-5H2,1H3
InChIKeyRCYKGZDTEJDOJR-UHFFFAOYSA-N
XLogP-1.14
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-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-N-[4-(2-methoxyethoxy)butyl]-3-methyltriazole-4-sulfonamide
CID 103354561
5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide
CID 103354591
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyltriazole-4-sulfonamide
CID 103354592
5-bromo-N-(2-ethoxypropyl)-3-methyltriazole-4-sulfonamide
CID 103354605
5-bromo-3-methyl-N-(2-propan-2-yloxyethyl)triazole-4-sulfonamide
CID 103354675
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methyltriazole-4-sulfonamide
CID 103354687
5-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methyltriazole-4-sulfonamide
CID 105651760
2-[2-[(5-Bromo-3-methyltriazol-4-yl)sulfonylamino]ethoxy]acetic acid
CID 106466029
5-bromo-N-(2-methoxyethyl)-3-methyltriazole-4-sulfonamide
CID 106466226
5-bromo-N-(2-methoxyethoxy)-3-methyltriazole-4-sulfonamide
CID 106466278

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide (CID 103354585) is 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)NCCOCCO.
What is the InChIKey of 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide?
The InChIKey is RCYKGZDTEJDOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN4O4S/c1-12-7(6(8)10-11-12)17(14,15)9-2-4-16-5-3-13/h9,13H,2-5H2,1H3.
What are the key properties of 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide?
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide has a molecular weight of 329.18 g/mol, XLogP of -1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).