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

C8H14BrClN4O2S — CID 106468486

IUPAC5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide
SMILESCCCC(Cl)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H14BrClN4O2S/c1-3-4-6(10)5-11-17(15,16)8-7(9)12-13-14(8)2/h6,11H,3-5H2,1-2H3
InChIKeyDZVFUXRSJXLNBU-UHFFFAOYSA-N
MW345.65 g/mol
LogP1.26
Rot. Bonds6

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

5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide (PubChem CID 106468486) has the molecular formula C8H14BrClN4O2S and a molecular weight of 345.65 g/mol. Its IUPAC name is 5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide
PubChem CID106468486
Molecular FormulaC8H14BrClN4O2S
Molecular Weight345.65 g/mol
Exact Mass343.97
IUPAC Name5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide
SMILESCCCC(Cl)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H14BrClN4O2S/c1-3-4-6(10)5-11-17(15,16)8-7(9)12-13-14(8)2/h6,11H,3-5H2,1-2H3
InChIKeyDZVFUXRSJXLNBU-UHFFFAOYSA-N
XLogP1.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(2-chloroethyl)pentyl]-3-methyltriazole-4-sulfonamide
CID 106118248
5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
CID 106466889
5-bromo-N-hexan-3-yl-3-methyltriazole-4-sulfonamide
CID 103354548
5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467256
5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide
CID 103354596
5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
CID 103354565
5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide
CID 106466835
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
5-bromo-N-(4-chlorobutyl)-3-methyltriazole-4-sulfonamide
CID 106846483
5-bromo-N-but-2-ynyl-3-methyltriazole-4-sulfonamide
CID 106468202
5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide
CID 106467356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide (CID 106468486) is 5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide is CCCC(Cl)CNS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is DZVFUXRSJXLNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrClN4O2S/c1-3-4-6(10)5-11-17(15,16)8-7(9)12-13-14(8)2/h6,11H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 345.65 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106468486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).