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

C7H13BrN4O4S — CID 103354591

IUPAC5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide
SMILESCOCC(O)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C7H13BrN4O4S/c1-12-7(6(8)10-11-12)17(14,15)9-3-5(13)4-16-2/h5,9,13H,3-4H2,1-2H3
InChIKeyIIQXWZNWLSSVJF-UHFFFAOYSA-N
MW329.18 g/mol
LogP-1.14
Rot. Bonds6

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

5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide (PubChem CID 103354591) has the molecular formula C7H13BrN4O4S and a molecular weight of 329.18 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide
PubChem CID103354591
Molecular FormulaC7H13BrN4O4S
Molecular Weight329.18 g/mol
Exact Mass327.98
IUPAC Name5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide
SMILESCOCC(O)CNS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C7H13BrN4O4S/c1-12-7(6(8)10-11-12)17(14,15)9-3-5(13)4-16-2/h5,9,13H,3-4H2,1-2H3
InChIKeyIIQXWZNWLSSVJF-UHFFFAOYSA-N
XLogP-1.14
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)triazole-4-sulfonamide
CID 106543940
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-3-methyltriazole-4-sulfonamide
CID 106898551
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]-3-methyltriazole-4-sulfonamide
CID 103354585
5-bromo-N-(2-ethoxypropyl)-3-methyltriazole-4-sulfonamide
CID 103354605
5-bromo-3-methyl-N-(2-propan-2-yloxyethyl)triazole-4-sulfonamide
CID 103354675
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methyltriazole-4-sulfonamide
CID 103354687
5-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methyltriazole-4-sulfonamide
CID 105651760
3-[(5-Bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide
CID 106169161
3-[(5-Bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 106465987
5-bromo-N-(2-methoxyethyl)-3-methyltriazole-4-sulfonamide
CID 106466226
5-bromo-N-(2-methoxypropyl)-3-methyltriazole-4-sulfonamide
CID 106466300
5-bromo-N-(3-hydroxypropyl)-3-methyltriazole-4-sulfonamide
CID 106466790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide (CID 103354591) is 5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide is COCC(O)CNS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is IIQXWZNWLSSVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN4O4S/c1-12-7(6(8)10-11-12)17(14,15)9-3-5(13)4-16-2/h5,9,13H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 329.18 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-3-methoxypropyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).