3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide

C21H20F3N7O2S — CID 77301787

IUPAC3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC(n2cnnc2)C1)c1cc(-c2ccn3ncnc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N7O2S/c22-21(23,24)16-6-15(14-4-5-31-20(8-14)25-11-28-31)7-19(9-16)34(32,33)29-17-2-1-3-18(10-17)30-12-26-27-13-30/h4-9,11-13,17-18,29H,1-3,10H2
InChIKeyVWGYVVFHZYIRRS-UHFFFAOYSA-N
MW491.50 g/mol
LogP3.47
Rot. Bonds5

About 3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide

3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 77301787) has the molecular formula C21H20F3N7O2S and a molecular weight of 491.50 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID77301787
Molecular FormulaC21H20F3N7O2S
Molecular Weight491.50 g/mol
Exact Mass491.14
IUPAC Name3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC(n2cnnc2)C1)c1cc(-c2ccn3ncnc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N7O2S/c22-21(23,24)16-6-15(14-4-5-31-20(8-14)25-11-28-31)7-19(9-16)34(32,33)29-17-2-1-3-18(10-17)30-12-26-27-13-30/h4-9,11-13,17-18,29H,1-3,10H2
InChIKeyVWGYVVFHZYIRRS-UHFFFAOYSA-N
XLogP3.47
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-phenyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
CID 67491135
3-thiophen-3-yl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
CID 67491236
3-(6-methoxy-3-pyridinyl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
CID 67491092
N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 87420602
N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-3-[2-(2,2,2-trifluoroethoxy)quinolin-7-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 123370032
3-(1-benzofuran-2-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
CID 67491197
3-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethoxy)benzenesulfonamide
CID 77301860
N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 67491134
N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 75310646
3-(difluoromethoxy)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310647
4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310726
4-ethyl-3-phenyl-N-[(1S,3S)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 118643822

Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide (CID 77301787) is 3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCCC(n2cnnc2)C1)c1cc(-c2ccn3ncnc3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VWGYVVFHZYIRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O2S/c22-21(23,24)16-6-15(14-4-5-31-20(8-14)25-11-28-31)7-19(9-16)34(32,33)29-17-2-1-3-18(10-17)30-12-26-27-13-30/h4-9,11-13,17-18,29H,1-3,10H2.
What are the key properties of 3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide?
3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 491.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 77301787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).