5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide

C8H13BrN4O3S — CID 106466282

IUPAC5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C8H13BrN4O3S/c1-13-8(7(9)10-11-13)17(14,15)12-16-6-4-2-3-5-6/h6,12H,2-5H2,1H3
InChIKeyXFRCGHCBYTZCOW-UHFFFAOYSA-N
MW325.19 g/mol
LogP0.73
Rot. Bonds4

About 5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide

5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide (PubChem CID 106466282) has the molecular formula C8H13BrN4O3S and a molecular weight of 325.19 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide
PubChem CID106466282
Molecular FormulaC8H13BrN4O3S
Molecular Weight325.19 g/mol
Exact Mass323.99
IUPAC Name5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C8H13BrN4O3S/c1-13-8(7(9)10-11-13)17(14,15)12-16-6-4-2-3-5-6/h6,12H,2-5H2,1H3
InChIKeyXFRCGHCBYTZCOW-UHFFFAOYSA-N
XLogP0.73
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-chlorocycloheptyl)-3-methyltriazole-4-sulfonamide
CID 106468468
5-bromo-N-[2-(bromomethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106367508
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106898543
5-bromo-3-methyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-sulfonamide
CID 106467102
4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 106466031
5-bromo-3-methyl-N-phenylmethoxytriazole-4-sulfonamide
CID 106466270
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 106468138
5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide
CID 106467162
5-bromo-N-[(3-hydroxycyclopentyl)methyl]-3-methyltriazole-4-sulfonamide
CID 103354693
5-bromo-3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]triazole-4-sulfonamide
CID 106467584
5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide
CID 106466931
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidine-3-carboxylate
CID 103354558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide (CID 106466282) is 5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)NOC1CCCC1.
What is the InChIKey of 5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide?
The InChIKey is XFRCGHCBYTZCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O3S/c1-13-8(7(9)10-11-13)17(14,15)12-16-6-4-2-3-5-6/h6,12H,2-5H2,1H3.
What are the key properties of 5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide?
5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide has a molecular weight of 325.19 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106466282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).