5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide

C8H12BrN7O2S — CID 106898518

IUPAC5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H12BrN7O2S/c1-3-16-5-10-12-6(16)4-11-19(17,18)8-7(9)13-14-15(8)2/h5,11H,3-4H2,1-2H3
InChIKeyHNWXWNKAXGFULC-UHFFFAOYSA-N
MW350.20 g/mol
LogP-0.33
Rot. Bonds5

About 5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide

5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide (PubChem CID 106898518) has the molecular formula C8H12BrN7O2S and a molecular weight of 350.20 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide
PubChem CID106898518
Molecular FormulaC8H12BrN7O2S
Molecular Weight350.20 g/mol
Exact Mass349.00
IUPAC Name5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H12BrN7O2S/c1-3-16-5-10-12-6(16)4-11-19(17,18)8-7(9)13-14-15(8)2/h5,11H,3-4H2,1-2H3
InChIKeyHNWXWNKAXGFULC-UHFFFAOYSA-N
XLogP-0.33
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-dibromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 47318751
2,5-dibromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103768324
5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
CID 103354565
5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 106303562
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydrazinylbenzenesulfonamide
CID 114170893
5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467256
5-bromo-3-methyl-N-(1H-pyrazol-4-ylmethyl)triazole-4-sulfonamide
CID 106466916
5-amino-3-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluorobenzenesulfonamide
CID 106301754
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
2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 114170773
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)benzenesulfonamide
CID 106304082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide (CID 106898518) is 5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide is CCn1cnnc1CNS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide?
The InChIKey is HNWXWNKAXGFULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN7O2S/c1-3-16-5-10-12-6(16)4-11-19(17,18)8-7(9)13-14-15(8)2/h5,11H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide?
5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide has a molecular weight of 350.20 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106898518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).