N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C16H17F3N6O4S2 — CID 14155140

IUPACN-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N(C)C)nc2n1
InChIInChI=1S/C16H17F3N6O4S2/c1-9-7-10(2)25-14(20-9)21-15(22-25)30(26,27)23-12-8-11(16(17,18)19)5-6-13(12)31(28,29)24(3)4/h5-8,23H,1-4H3
InChIKeyQXZKFPTZFKPJQH-UHFFFAOYSA-N
MW478.48 g/mol
LogP1.81
Rot. Bonds5

About N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14155140) has the molecular formula C16H17F3N6O4S2 and a molecular weight of 478.48 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14155140
Molecular FormulaC16H17F3N6O4S2
Molecular Weight478.48 g/mol
Exact Mass478.07
IUPAC NameN-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N(C)C)nc2n1
InChIInChI=1S/C16H17F3N6O4S2/c1-9-7-10(2)25-14(20-9)21-15(22-25)30(26,27)23-12-8-11(16(17,18)19)5-6-13(12)31(28,29)24(3)4/h5-8,23H,1-4H3
InChIKeyQXZKFPTZFKPJQH-UHFFFAOYSA-N
XLogP1.81
TPSA126.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14155140) is N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N(C)C)nc2n1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is QXZKFPTZFKPJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O4S2/c1-9-7-10(2)25-14(20-9)21-15(22-25)30(26,27)23-12-8-11(16(17,18)19)5-6-13(12)31(28,29)24(3)4/h5-8,23H,1-4H3.
What are the key properties of N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 478.48 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14155140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).