2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide

C12H7F4N5O2S — CID 18462030

IUPAC2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccncn2n1)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C12H7F4N5O2S/c13-8-3-1-2-7(12(14,15)16)10(8)24(22,23)20-11-18-9-4-5-17-6-21(9)19-11/h1-6H,(H,19,20)
InChIKeyKSZZAMBHHSJKJM-UHFFFAOYSA-N
MW361.28 g/mol
LogP2.08
Rot. Bonds3

About 2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide

2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 18462030) has the molecular formula C12H7F4N5O2S and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID18462030
Molecular FormulaC12H7F4N5O2S
Molecular Weight361.28 g/mol
Exact Mass361.03
IUPAC Name2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccncn2n1)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C12H7F4N5O2S/c13-8-3-1-2-7(12(14,15)16)10(8)24(22,23)20-11-18-9-4-5-17-6-21(9)19-11/h1-6H,(H,19,20)
InChIKeyKSZZAMBHHSJKJM-UHFFFAOYSA-N
XLogP2.08
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 18462030) is 2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1nc2ccncn2n1)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KSZZAMBHHSJKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N5O2S/c13-8-3-1-2-7(12(14,15)16)10(8)24(22,23)20-11-18-9-4-5-17-6-21(9)19-11/h1-6H,(H,19,20).
What are the key properties of 2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide?
2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 361.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 18462030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).