N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide

C15H14F3N5O2S — CID 91813926

IUPACN-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCCc1cnc2ncnn2c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N5O2S/c16-15(17,18)12-4-1-5-13(7-12)26(24,25)22-6-2-3-11-8-19-14-20-10-21-23(14)9-11/h1,4-5,7-10,22H,2-3,6H2
InChIKeyRGRLBFDCZRBQJF-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.05
Rot. Bonds6

About N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide

N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 91813926) has the molecular formula C15H14F3N5O2S and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID91813926
Molecular FormulaC15H14F3N5O2S
Molecular Weight385.37 g/mol
Exact Mass385.08
IUPAC NameN-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCCc1cnc2ncnn2c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N5O2S/c16-15(17,18)12-4-1-5-13(7-12)26(24,25)22-6-2-3-11-8-19-14-20-10-21-23(14)9-11/h1,4-5,7-10,22H,2-3,6H2
InChIKeyRGRLBFDCZRBQJF-UHFFFAOYSA-N
XLogP2.05
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-oxo-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzoxazole-5-sulfonamide
CID 91813929
N-dodecyl-3-(trifluoromethyl)benzenesulfonamide
CID 23358572
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477
3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 73168309
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
CID 81358830
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide
CID 90620853
N-(3-bromobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 113271804
N-(4-azidobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 106387073
3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588752
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
CID 15578993

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide (CID 91813926) is N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCCc1cnc2ncnn2c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RGRLBFDCZRBQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2S/c16-15(17,18)12-4-1-5-13(7-12)26(24,25)22-6-2-3-11-8-19-14-20-10-21-23(14)9-11/h1,4-5,7-10,22H,2-3,6H2.
What are the key properties of N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 385.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91813926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).