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

C12H7ClF3N5O2S — CID 100674993

IUPAC2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ncccn2n1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H7ClF3N5O2S/c13-8-3-2-7(12(14,15)16)6-9(8)24(22,23)20-10-18-11-17-4-1-5-21(11)19-10/h1-6H,(H,19,20)
InChIKeyAOLWHGFBYFPEIR-UHFFFAOYSA-N
MW377.74 g/mol
LogP2.60
Rot. Bonds3

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

2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 100674993) has the molecular formula C12H7ClF3N5O2S and a molecular weight of 377.74 g/mol. Its IUPAC name is 2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID100674993
Molecular FormulaC12H7ClF3N5O2S
Molecular Weight377.74 g/mol
Exact Mass377.00
IUPAC Name2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ncccn2n1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H7ClF3N5O2S/c13-8-3-2-7(12(14,15)16)6-9(8)24(22,23)20-10-18-11-17-4-1-5-21(11)19-10/h1-6H,(H,19,20)
InChIKeyAOLWHGFBYFPEIR-UHFFFAOYSA-N
XLogP2.60
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide (CID 100674993) is 2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1nc2ncccn2n1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AOLWHGFBYFPEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N5O2S/c13-8-3-2-7(12(14,15)16)6-9(8)24(22,23)20-10-18-11-17-4-1-5-21(11)19-10/h1-6H,(H,19,20).
What are the key properties of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 377.74 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 100674993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).