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

C11H6Cl2FN5O3S — CID 136702893

IUPACN-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESO=c1[nH]c(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn12
InChIInChI=1S/C11H6Cl2FN5O3S/c12-5-2-1-3-6(13)9(5)18-23(21,22)10-16-8-4-7(14)15-11(20)19(8)17-10/h1-4,18H,(H,15,20)
InChIKeyDRWMOCWRCCLGMR-UHFFFAOYSA-N
MW378.17 g/mol
LogP1.66
Rot. Bonds3

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

N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 136702893) has the molecular formula C11H6Cl2FN5O3S and a molecular weight of 378.17 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
PubChem CID136702893
Molecular FormulaC11H6Cl2FN5O3S
Molecular Weight378.17 g/mol
Exact Mass376.96
IUPAC NameN-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESO=c1[nH]c(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn12
InChIInChI=1S/C11H6Cl2FN5O3S/c12-5-2-1-3-6(13)9(5)18-23(21,22)10-16-8-4-7(14)15-11(20)19(8)17-10/h1-4,18H,(H,15,20)
InChIKeyDRWMOCWRCCLGMR-UHFFFAOYSA-N
XLogP1.66
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 136702893) is 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 N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The canonical SMILES for 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)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn12.
What is the InChIKey of N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The InChIKey is DRWMOCWRCCLGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN5O3S/c12-5-2-1-3-6(13)9(5)18-23(21,22)10-16-8-4-7(14)15-11(20)19(8)17-10/h1-4,18H,(H,15,20).
What are the key properties of N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 378.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 136702893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).