N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C13H10F3N5O3S — CID 14623475

IUPACN-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cc(CF)nc2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12
InChIInChI=1S/C13H10F3N5O3S/c1-24-10-5-7(6-14)17-12-18-13(19-21(10)12)25(22,23)20-11-8(15)3-2-4-9(11)16/h2-5,20H,6H2,1H3
InChIKeyKGAVXHOQTVLFFX-UHFFFAOYSA-N
MW373.32 g/mol
LogP1.68
Rot. Bonds5

About N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14623475) has the molecular formula C13H10F3N5O3S and a molecular weight of 373.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14623475
Molecular FormulaC13H10F3N5O3S
Molecular Weight373.32 g/mol
Exact Mass373.05
IUPAC NameN-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cc(CF)nc2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12
InChIInChI=1S/C13H10F3N5O3S/c1-24-10-5-7(6-14)17-12-18-13(19-21(10)12)25(22,23)20-11-8(15)3-2-4-9(11)16/h2-5,20H,6H2,1H3
InChIKeyKGAVXHOQTVLFFX-UHFFFAOYSA-N
XLogP1.68
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-difluoro-3-methylphenyl)-7-ethoxy-5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 19833541
5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 22151973
8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 15003730
N-(2,6-difluorophenyl)-5-ethyl-1-phenyl-1,2,4-triazole-3-sulfonamide
CID 23276645
N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
CID 21464438
2-benzylsulfonyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2766512
N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155220
N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 10480977
N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide
CID 21279526
N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14152254
2,6-dichloro-N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
CID 12056874
2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid
CID 18983800

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14623475) is N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is COc1cc(CF)nc2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12.
What is the InChIKey of N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is KGAVXHOQTVLFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O3S/c1-24-10-5-7(6-14)17-12-18-13(19-21(10)12)25(22,23)20-11-8(15)3-2-4-9(11)16/h2-5,20H,6H2,1H3.
What are the key properties of N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 373.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14623475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).