5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide

C7H11BrN4O3S — CID 103354692

IUPAC5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C7H11BrN4O3S/c1-12-7(6(8)9-11-12)16(13,14)10-5-2-3-15-4-5/h5,10H,2-4H2,1H3
InChIKeyAPKWAAHLCSTISY-UHFFFAOYSA-N
MW311.16 g/mol
LogP-0.36
Rot. Bonds3

About 5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide

5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide (PubChem CID 103354692) has the molecular formula C7H11BrN4O3S and a molecular weight of 311.16 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide
PubChem CID103354692
Molecular FormulaC7H11BrN4O3S
Molecular Weight311.16 g/mol
Exact Mass309.97
IUPAC Name5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C7H11BrN4O3S/c1-12-7(6(8)9-11-12)16(13,14)10-5-2-3-15-4-5/h5,10H,2-4H2,1H3
InChIKeyAPKWAAHLCSTISY-UHFFFAOYSA-N
XLogP-0.36
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-sulfonamide
CID 106468008
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-3-methyltriazole-4-sulfonamide
CID 106898590
5-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]triazole-4-sulfonamide
CID 103354546
5-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide
CID 103354564
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methyltriazole-4-sulfonamide
CID 103354604
5-bromo-N-(2-ethoxypropyl)-3-methyltriazole-4-sulfonamide
CID 103354605
5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide
CID 103354638
5-bromo-3-methyl-N-(4-propan-2-yloxybutyl)triazole-4-sulfonamide
CID 103354670
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
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106158175

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide?
The IUPAC name of 5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide (CID 103354692) is 5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)NC1CCOC1.
What is the InChIKey of 5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide?
The InChIKey is APKWAAHLCSTISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O3S/c1-12-7(6(8)9-11-12)16(13,14)10-5-2-3-15-4-5/h5,10H,2-4H2,1H3.
What are the key properties of 5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide?
5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide has a molecular weight of 311.16 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(oxolan-3-yl)triazole-4-sulfonamide is sourced from PubChem (CID 103354692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).