8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C11H5Cl3FN5O3S — CID 136702894

IUPAC8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESO=c1[nH]c(F)c(Cl)c2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn12
InChIInChI=1S/C11H5Cl3FN5O3S/c12-4-2-1-3-5(13)7(4)19-24(22,23)10-17-9-6(14)8(15)16-11(21)20(9)18-10/h1-3,19H,(H,16,21)
InChIKeyWXSLTJBFISFBHN-UHFFFAOYSA-N
MW412.62 g/mol
LogP2.32
Rot. Bonds3

About 8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 136702894) has the molecular formula C11H5Cl3FN5O3S and a molecular weight of 412.62 g/mol. Its IUPAC name is 8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
PubChem CID136702894
Molecular FormulaC11H5Cl3FN5O3S
Molecular Weight412.62 g/mol
Exact Mass410.92
IUPAC Name8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESO=c1[nH]c(F)c(Cl)c2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn12
InChIInChI=1S/C11H5Cl3FN5O3S/c12-4-2-1-3-5(13)7(4)19-24(22,23)10-17-9-6(14)8(15)16-11(21)20(9)18-10/h1-3,19H,(H,16,21)
InChIKeyWXSLTJBFISFBHN-UHFFFAOYSA-N
XLogP2.32
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The IUPAC name of 8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 136702894) is 8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.
What is the SMILES notation for 8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The canonical SMILES for 8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is O=c1[nH]c(F)c(Cl)c2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn12.
What is the InChIKey of 8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The InChIKey is WXSLTJBFISFBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FN5O3S/c12-4-2-1-3-5(13)7(4)19-24(22,23)10-17-9-6(14)8(15)16-11(21)20(9)18-10/h1-3,19H,(H,16,21).
What are the key properties of 8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 412.62 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 136702894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).