4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide

C10H6F6N4O2S — CID 56600865

IUPAC4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2c(C(F)(F)F)nnc2C(F)(F)F)cc1
InChIInChI=1S/C10H6F6N4O2S/c11-9(12,13)7-18-19-8(10(14,15)16)20(7)5-1-3-6(4-2-5)23(17,21)22/h1-4H,(H2,17,21,22)
InChIKeyRTIJHTPUELBWDE-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.95
Rot. Bonds2

About 4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide

4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide (PubChem CID 56600865) has the molecular formula C10H6F6N4O2S and a molecular weight of 360.24 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide
PubChem CID56600865
Molecular FormulaC10H6F6N4O2S
Molecular Weight360.24 g/mol
Exact Mass360.01
IUPAC Name4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2c(C(F)(F)F)nnc2C(F)(F)F)cc1
InChIInChI=1S/C10H6F6N4O2S/c11-9(12,13)7-18-19-8(10(14,15)16)20(7)5-1-3-6(4-2-5)23(17,21)22/h1-4H,(H2,17,21,22)
InChIKeyRTIJHTPUELBWDE-UHFFFAOYSA-N
XLogP1.95
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide (CID 56600865) is 4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2c(C(F)(F)F)nnc2C(F)(F)F)cc1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide?
The InChIKey is RTIJHTPUELBWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N4O2S/c11-9(12,13)7-18-19-8(10(14,15)16)20(7)5-1-3-6(4-2-5)23(17,21)22/h1-4H,(H2,17,21,22).
What are the key properties of 4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide?
4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide has a molecular weight of 360.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)-1,2,4-triazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 56600865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).