2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide

C7H12BrN5O3S — CID 103354688

IUPAC2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C7H12BrN5O3S/c1-12(2)5(14)4-9-17(15,16)7-6(8)10-11-13(7)3/h9H,4H2,1-3H3
InChIKeyHVCOEQICYRGKLO-UHFFFAOYSA-N
MW326.18 g/mol
LogP-1.06
Rot. Bonds4

About 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide

2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide (PubChem CID 103354688) has the molecular formula C7H12BrN5O3S and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
PubChem CID103354688
Molecular FormulaC7H12BrN5O3S
Molecular Weight326.18 g/mol
Exact Mass324.98
IUPAC Name2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C7H12BrN5O3S/c1-12(2)5(14)4-9-17(15,16)7-6(8)10-11-13(7)3/h9H,4H2,1-3H3
InChIKeyHVCOEQICYRGKLO-UHFFFAOYSA-N
XLogP-1.06
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-methyl-N-prop-2-ynyltriazole-4-sulfonamide
CID 106467331
5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
CID 106466889
5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide
CID 106467356
5-bromo-N-but-2-ynyl-3-methyltriazole-4-sulfonamide
CID 106468202
5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
CID 103354565
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-3-methyl-N-[3-(methylamino)propyl]triazole-4-sulfonamide
CID 106466972
5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide
CID 103354596
2-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 106466045
5-bromo-N-(4-chlorobutyl)-3-methyltriazole-4-sulfonamide
CID 106846483
N-(4-aminobutyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106466343

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide (CID 103354688) is 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide?
The InChIKey is HVCOEQICYRGKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN5O3S/c1-12(2)5(14)4-9-17(15,16)7-6(8)10-11-13(7)3/h9H,4H2,1-3H3.
What are the key properties of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide?
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide has a molecular weight of 326.18 g/mol, XLogP of -1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 103354688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).