N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide

C16H11ClN4O3S — CID 71729586

IUPACN-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2nc(-c3cccc(Cl)c3)nn2c1)c1ccco1
InChIInChI=1S/C16H11ClN4O3S/c17-12-4-1-3-11(9-12)16-18-14-7-6-13(10-21(14)19-16)20-25(22,23)15-5-2-8-24-15/h1-10,20H
InChIKeyWWFWVUCPFMKJJY-UHFFFAOYSA-N
MW374.81 g/mol
LogP3.44
Rot. Bonds4

About N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide

N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide (PubChem CID 71729586) has the molecular formula C16H11ClN4O3S and a molecular weight of 374.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide
PubChem CID71729586
Molecular FormulaC16H11ClN4O3S
Molecular Weight374.81 g/mol
Exact Mass374.02
IUPAC NameN-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2nc(-c3cccc(Cl)c3)nn2c1)c1ccco1
InChIInChI=1S/C16H11ClN4O3S/c17-12-4-1-3-11(9-12)16-18-14-7-6-13(10-21(14)19-16)20-25(22,23)15-5-2-8-24-15/h1-10,20H
InChIKeyWWFWVUCPFMKJJY-UHFFFAOYSA-N
XLogP3.44
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide (CID 71729586) is N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide is O=S(=O)(Nc1ccc2nc(-c3cccc(Cl)c3)nn2c1)c1ccco1.
What is the InChIKey of N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide?
The InChIKey is WWFWVUCPFMKJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3S/c17-12-4-1-3-11(9-12)16-18-14-7-6-13(10-21(14)19-16)20-25(22,23)15-5-2-8-24-15/h1-10,20H.
What are the key properties of N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide?
N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide has a molecular weight of 374.81 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]furan-2-sulfonamide is sourced from PubChem (CID 71729586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).