5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide

C13H11ClN4O2S2 — CID 87054168

IUPAC5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN4O2S2/c14-10-5-6-11(21-10)22(19,20)17-9-2-1-7-18-13(9)15-12(16-18)8-3-4-8/h1-2,5-8,17H,3-4H2
InChIKeyAMVQRSJEUJFDKF-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.12
Rot. Bonds4

About 5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide

5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide (PubChem CID 87054168) has the molecular formula C13H11ClN4O2S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
PubChem CID87054168
Molecular FormulaC13H11ClN4O2S2
Molecular Weight354.84 g/mol
Exact Mass354.00
IUPAC Name5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN4O2S2/c14-10-5-6-11(21-10)22(19,20)17-9-2-1-7-18-13(9)15-12(16-18)8-3-4-8/h1-2,5-8,17H,3-4H2
InChIKeyAMVQRSJEUJFDKF-UHFFFAOYSA-N
XLogP3.12
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide (CID 87054168) is 5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide?
The InChIKey is AMVQRSJEUJFDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S2/c14-10-5-6-11(21-10)22(19,20)17-9-2-1-7-18-13(9)15-12(16-18)8-3-4-8/h1-2,5-8,17H,3-4H2.
What are the key properties of 5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide?
5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide has a molecular weight of 354.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 87054168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).