5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide

C7H13BrN4O3S — CID 106466835

IUPAC5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide
SMILESCC(O)CCNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C7H13BrN4O3S/c1-5(13)3-4-9-16(14,15)7-6(8)10-11-12(7)2/h5,9,13H,3-4H2,1-2H3
InChIKeyZPGMEAICKFHLPL-UHFFFAOYSA-N
MW313.18 g/mol
LogP-0.37
Rot. Bonds5

About 5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide

5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide (PubChem CID 106466835) has the molecular formula C7H13BrN4O3S and a molecular weight of 313.18 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide
PubChem CID106466835
Molecular FormulaC7H13BrN4O3S
Molecular Weight313.18 g/mol
Exact Mass311.99
IUPAC Name5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide
SMILESCC(O)CCNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C7H13BrN4O3S/c1-5(13)3-4-9-16(14,15)7-6(8)10-11-12(7)2/h5,9,13H,3-4H2,1-2H3
InChIKeyZPGMEAICKFHLPL-UHFFFAOYSA-N
XLogP-0.37
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467256
5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
CID 106466889
5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide
CID 103354596
5-bromo-3-methyl-N-(2-sulfamoylethyl)triazole-4-sulfonamide
CID 106467356
5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
CID 103354565
5-bromo-3-methyl-N-[3-(methylamino)propyl]triazole-4-sulfonamide
CID 106466972
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
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
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 103354688

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide (CID 106466835) is 5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide is CC(O)CCNS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is ZPGMEAICKFHLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN4O3S/c1-5(13)3-4-9-16(14,15)7-6(8)10-11-12(7)2/h5,9,13H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 313.18 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106466835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).