5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide

C9H15BrN4O3S — CID 103354638

IUPAC5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C9H15BrN4O3S/c1-14-9(8(10)11-13-14)18(15,16)12-6-4-3-5-7(6)17-2/h6-7,12H,3-5H2,1-2H3
InChIKeyCZXRTJMROGEBCD-UHFFFAOYSA-N
MW339.22 g/mol
LogP0.42
Rot. Bonds4

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

5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide (PubChem CID 103354638) has the molecular formula C9H15BrN4O3S and a molecular weight of 339.22 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide
PubChem CID103354638
Molecular FormulaC9H15BrN4O3S
Molecular Weight339.22 g/mol
Exact Mass338.00
IUPAC Name5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C9H15BrN4O3S/c1-14-9(8(10)11-13-14)18(15,16)12-6-4-3-5-7(6)17-2/h6-7,12H,3-5H2,1-2H3
InChIKeyCZXRTJMROGEBCD-UHFFFAOYSA-N
XLogP0.42
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide (CID 103354638) is 5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide is COC1CCCC1NS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is CZXRTJMROGEBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O3S/c1-14-9(8(10)11-13-14)18(15,16)12-6-4-3-5-7(6)17-2/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 339.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxycyclopentyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).