5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide

C8H15BrN4O2S — CID 106467256

IUPAC5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4O2S/c1-6(2)4-5-10-16(14,15)8-7(9)11-12-13(8)3/h6,10H,4-5H2,1-3H3
InChIKeyPCDGOTSYSDHHCP-UHFFFAOYSA-N
MW311.21 g/mol
LogP0.90
Rot. Bonds5

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

5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide (PubChem CID 106467256) has the molecular formula C8H15BrN4O2S and a molecular weight of 311.21 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
PubChem CID106467256
Molecular FormulaC8H15BrN4O2S
Molecular Weight311.21 g/mol
Exact Mass310.01
IUPAC Name5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4O2S/c1-6(2)4-5-10-16(14,15)8-7(9)11-12-13(8)3/h6,10H,4-5H2,1-3H3
InChIKeyPCDGOTSYSDHHCP-UHFFFAOYSA-N
XLogP0.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide
CID 106466835
5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide
CID 106467356
5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
CID 103354565
5-bromo-3-methyl-N-[3-(methylamino)propyl]triazole-4-sulfonamide
CID 106466972
5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide
CID 103354596
5-bromo-N-(4-chlorobutyl)-3-methyltriazole-4-sulfonamide
CID 106846483
N-(4-aminobutyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106466343
5-bromo-N-but-3-enyl-3-methyltriazole-4-sulfonamide
CID 106466294
5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
CID 106466889
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106468442
2-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 106466045
5-bromo-3-methyl-N-prop-2-ynyltriazole-4-sulfonamide
CID 106467331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide?
The IUPAC name of 5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide (CID 106467256) is 5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide is CC(C)CCNS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide?
The InChIKey is PCDGOTSYSDHHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN4O2S/c1-6(2)4-5-10-16(14,15)8-7(9)11-12-13(8)3/h6,10H,4-5H2,1-3H3.
What are the key properties of 5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide?
5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide has a molecular weight of 311.21 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide is sourced from PubChem (CID 106467256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).