2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide

C15H17N5O2S — CID 71993039

IUPAC2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccccc1S(=O)(=O)Nc1nc2ncccn2n1
InChIInChI=1S/C15H17N5O2S/c1-15(2,3)11-7-4-5-8-12(11)23(21,22)19-13-17-14-16-9-6-10-20(14)18-13/h4-10H,1-3H3,(H,18,19)
InChIKeyBVERIRSKXPZWTK-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.22
Rot. Bonds3

About 2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide

2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide (PubChem CID 71993039) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
PubChem CID71993039
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccccc1S(=O)(=O)Nc1nc2ncccn2n1
InChIInChI=1S/C15H17N5O2S/c1-15(2,3)11-7-4-5-8-12(11)23(21,22)19-13-17-14-16-9-6-10-20(14)18-13/h4-10H,1-3H3,(H,18,19)
InChIKeyBVERIRSKXPZWTK-UHFFFAOYSA-N
XLogP2.22
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide (CID 71993039) is 2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide is CC(C)(C)c1ccccc1S(=O)(=O)Nc1nc2ncccn2n1.
What is the InChIKey of 2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is BVERIRSKXPZWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-15(2,3)11-7-4-5-8-12(11)23(21,22)19-13-17-14-16-9-6-10-20(14)18-13/h4-10H,1-3H3,(H,18,19).
What are the key properties of 2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 71993039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).