5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide

C7H13BrN4O4S2 — CID 103354565

IUPAC5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
SMILESCCS(=O)(=O)CCNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C7H13BrN4O4S2/c1-3-17(13,14)5-4-9-18(15,16)7-6(8)10-11-12(7)2/h9H,3-5H2,1-2H3
InChIKeyGGQTUXWCSCWNEH-UHFFFAOYSA-N
MW361.24 g/mol
LogP-0.71
Rot. Bonds6

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

5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide (PubChem CID 103354565) has the molecular formula C7H13BrN4O4S2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
PubChem CID103354565
Molecular FormulaC7H13BrN4O4S2
Molecular Weight361.24 g/mol
Exact Mass359.96
IUPAC Name5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
SMILESCCS(=O)(=O)CCNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C7H13BrN4O4S2/c1-3-17(13,14)5-4-9-18(15,16)7-6(8)10-11-12(7)2/h9H,3-5H2,1-2H3
InChIKeyGGQTUXWCSCWNEH-UHFFFAOYSA-N
XLogP-0.71
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide
CID 106467356
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
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-(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
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 103354688
5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
CID 106466889

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide (CID 103354565) is 5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide is CCS(=O)(=O)CCNS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is GGQTUXWCSCWNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN4O4S2/c1-3-17(13,14)5-4-9-18(15,16)7-6(8)10-11-12(7)2/h9H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 361.24 g/mol, XLogP of -0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).