5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide

C5H10BrN5O4S2 — CID 106467356

IUPAC5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C5H10BrN5O4S2/c1-11-5(4(6)9-10-11)17(14,15)8-2-3-16(7,12)13/h8H,2-3H2,1H3,(H2,7,12,13)
InChIKeyNJKPWZYIZZDJBD-UHFFFAOYSA-N
MW348.20 g/mol
LogP-1.86
Rot. Bonds5

About 5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide

5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide (PubChem CID 106467356) has the molecular formula C5H10BrN5O4S2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide
PubChem CID106467356
Molecular FormulaC5H10BrN5O4S2
Molecular Weight348.20 g/mol
Exact Mass346.94
IUPAC Name5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C5H10BrN5O4S2/c1-11-5(4(6)9-10-11)17(14,15)8-2-3-16(7,12)13/h8H,2-3H2,1H3,(H2,7,12,13)
InChIKeyNJKPWZYIZZDJBD-UHFFFAOYSA-N
XLogP-1.86
TPSA137.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
CID 103354565
N-(4-aminobutyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106466343
5-bromo-3-methyl-N-[3-(methylamino)propyl]triazole-4-sulfonamide
CID 106466972
5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467256
5-bromo-N-(4-chlorobutyl)-3-methyltriazole-4-sulfonamide
CID 106846483
5-bromo-N-but-3-enyl-3-methyltriazole-4-sulfonamide
CID 106466294
5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide
CID 106466835
5-bromo-3-methyl-N-prop-2-ynyltriazole-4-sulfonamide
CID 106467331
5-bromo-N-but-2-ynyl-3-methyltriazole-4-sulfonamide
CID 106468202
5-bromo-3-methyl-N-(2-piperazin-1-ylethyl)triazole-4-sulfonamide
CID 106466969
N-[2-(4-aminophenoxy)ethyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465521
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 103354688

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide?
The IUPAC name of 5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide (CID 106467356) is 5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)NCCS(N)(=O)=O.
What is the InChIKey of 5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide?
The InChIKey is NJKPWZYIZZDJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrN5O4S2/c1-11-5(4(6)9-10-11)17(14,15)8-2-3-16(7,12)13/h8H,2-3H2,1H3,(H2,7,12,13).
What are the key properties of 5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide?
5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide has a molecular weight of 348.20 g/mol, XLogP of -1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide is sourced from PubChem (CID 106467356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).