5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide

C11H13BrN4O2S2 — CID 75494853

IUPAC5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCn3ncnc32)sc1Br
InChIInChI=1S/C11H13BrN4O2S2/c1-7-5-9(19-10(7)12)20(17,18)15-8-3-2-4-16-11(8)13-6-14-16/h5-6,8,15H,2-4H2,1H3
InChIKeyBHCQEGPAMMBASB-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.22
Rot. Bonds3

About 5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide (PubChem CID 75494853) has the molecular formula C11H13BrN4O2S2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
PubChem CID75494853
Molecular FormulaC11H13BrN4O2S2
Molecular Weight377.29 g/mol
Exact Mass375.97
IUPAC Name5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCn3ncnc32)sc1Br
InChIInChI=1S/C11H13BrN4O2S2/c1-7-5-9(19-10(7)12)20(17,18)15-8-3-2-4-16-11(8)13-6-14-16/h5-6,8,15H,2-4H2,1H3
InChIKeyBHCQEGPAMMBASB-UHFFFAOYSA-N
XLogP2.22
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide (CID 75494853) is 5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCCn3ncnc32)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide?
The InChIKey is BHCQEGPAMMBASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S2/c1-7-5-9(19-10(7)12)20(17,18)15-8-3-2-4-16-11(8)13-6-14-16/h5-6,8,15H,2-4H2,1H3.
What are the key properties of 5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide has a molecular weight of 377.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 75494853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).