5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide

C8H15BrN4O3S — CID 106466889

IUPAC5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
SMILESCC(C)C(O)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4O3S/c1-5(2)6(14)4-10-17(15,16)8-7(9)11-12-13(8)3/h5-6,10,14H,4H2,1-3H3
InChIKeyRQTLTJBBGZRCBF-UHFFFAOYSA-N
MW327.20 g/mol
LogP-0.13
Rot. Bonds5

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

5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide (PubChem CID 106466889) has the molecular formula C8H15BrN4O3S and a molecular weight of 327.20 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
PubChem CID106466889
Molecular FormulaC8H15BrN4O3S
Molecular Weight327.20 g/mol
Exact Mass326.00
IUPAC Name5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
SMILESCC(C)C(O)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4O3S/c1-5(2)6(14)4-10-17(15,16)8-7(9)11-12-13(8)3/h5-6,10,14H,4H2,1-3H3
InChIKeyRQTLTJBBGZRCBF-UHFFFAOYSA-N
XLogP-0.13
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide
CID 103354596
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-(3-methylbutyl)triazole-4-sulfonamide
CID 106467256
5-bromo-N-(2-chloropentyl)-3-methyltriazole-4-sulfonamide
CID 106468486
5-bromo-N-[2-(2-chloroethyl)pentyl]-3-methyltriazole-4-sulfonamide
CID 106118248
5-bromo-N-but-2-ynyl-3-methyltriazole-4-sulfonamide
CID 106468202
5-bromo-3-methyl-N-prop-2-ynyltriazole-4-sulfonamide
CID 106467331
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 103354688
5-bromo-N-(1-chloro-4-methylpentan-3-yl)-3-methyltriazole-4-sulfonamide
CID 106356450
5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
CID 103354565
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-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide (CID 106466889) is 5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide is CC(C)C(O)CNS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is RQTLTJBBGZRCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN4O3S/c1-5(2)6(14)4-10-17(15,16)8-7(9)11-12-13(8)3/h5-6,10,14H,4H2,1-3H3.
What are the key properties of 5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 327.20 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106466889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).